| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32.7 | Very low | 41.9 | Very low | 244 Ų | 244 | 100.9 Ų | 100.9 | 100% | 1.202 | 52% | 0.524 | S | S | * | . | 0 | 103.8 | 0 | -166 | 165.2 | 157.8 | 0 | 0 | 105.6 | D3 | M1-D3 PolarHBondContact O-N 3.44Š| |||
| 2 | V | 34.8 | Very low | 41.8 | Very low | 107 Ų | 107 | 99.8 Ų | 99.8 | 65% | 0.648 | 51% | 0.514 | S | S | * | . | trans | -73.9 | 126 | -176.2 | -178.3 | 0 | 0 | 0 | 0 | 107.5 | M4 L7 | V2-M4 PolarHBondContact O-N 3.37Å; V2-M4 VanDerWaalsContact O-N 3.08Å; V2-L7 HydrophobicContact CG1-CD1 3.64Å; V2-L7 HydrophobicContact CG1-CG 4.14Å | ||
| 3 | D | 36.6 | Very low | 41.7 | Very low | 94 Ų | 94 | 98.9 Ų | 98.9 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | trans | -64.3 | 106.3 | 174.4 | -168.3 | -63.5 | 0 | 0 | 0 | 108.8 | M1 D5 Q6 L7 | M1-D3 PolarHBondContact O-N 3.44Å; D3-D5 VanDerWaalsContact C-N 3.31Å; D3-D5 PolarHBondContact OD1-N 3.43Å; D3-Q6 HydrophobicContact CB-CB 4.09Å; D3-Q6 VanDerWaalsContact O-CB 3.25Å; D3-Q6 WeakPolarHBondContact O-CB 3.39Å; D3-Q6 PolarHBondContact O-N 3.31Å; D3-Q6 VanDerWaalsContact O-N 3.17Å; D3-Q6 PolarHBondContact OD1-N 2.74Å; D3-Q6 VanDerWaalsContact OD1-N 3.11Å; D3-L7 PolarHBondContact O-N 3.42Å | ||
| 4 | M | 46.5 | Very low | 41.3 | Very low | 100 Ų | 100 | 101.4 Ų | 101.4 | 49% | 0.493 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -76.3 | -18.4 | -172.1 | -79.4 | -74.3 | -167.3 | 0 | 0 | 112.9 | V2 Q6 L7 I8 I331 | V2-M4 PolarHBondContact O-N 3.37Å; V2-M4 VanDerWaalsContact O-N 3.08Å; M4-Q6 VanDerWaalsContact C-N 3.28Å; M4-L7 HydrophobicContact CE-CD1 4.17Å; M4-L7 PolarHBondContact O-N 3.16Å; M4-L7 HydrophobicContact SD-CB 4.33Å; M4-L7 HydrophobicContact SD-CD1 3.34Å; M4-L7 WeakPolarHBondContact SD-CD1 3.38Å; M4-L7 HydrophobicContact SD-CG 4.45Å; M4-I8 PolarHBondContact O-N 3.05Å; M4-I8 VanDerWaalsContact O-N 3.16Å; M4-I331 HydrophobicContact CB-CD1 4.36Å |
| 5 | D | 42.8 | Very low | 41.3 | Very low | 103 Ų | 103 | 98.3 Ų | 98.3 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70.2 | -32.8 | 168.4 | -73.2 | -35.5 | 0 | 0 | 0 | 109.9 | D3 I8 N9 | D3-D5 VanDerWaalsContact C-N 3.31Å; D3-D5 PolarHBondContact OD1-N 3.43Å; D5-I8 PolarHBondContact O-N 3.37Å; D5-N9 VanDerWaalsContact O-CB 3.27Å; D5-N9 WeakPolarHBondContact O-CB 3.49Å; D5-N9 VanDerWaalsContact O-CG 3.23Å; D5-N9 PolarHBondContact O-N 3.3Å; D5-N9 PolarHBondContact O-ND2 3.47Å; D5-N9 VanDerWaalsContact O-ND2 3.16Å |
| 6 | Q | 42.6 | Very low | 40.9 | Very low | 118 Ų | 118 | 100.3 Ų | 100.3 | 55% | 0.551 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.7 | -31.1 | 170.9 | -149.4 | 144.4 | 45.3 | 0 | 0 | 112.9 | D3 M4 N10 | D3-Q6 HydrophobicContact CB-CB 4.09Å; D3-Q6 VanDerWaalsContact O-CB 3.25Å; D3-Q6 WeakPolarHBondContact O-CB 3.39Å; D3-Q6 PolarHBondContact O-N 3.31Å; D3-Q6 VanDerWaalsContact O-N 3.17Å; D3-Q6 PolarHBondContact OD1-N 2.74Å; D3-Q6 VanDerWaalsContact OD1-N 3.11Å; M4-Q6 VanDerWaalsContact C-N 3.28Å; Q6-N10 WeakPolarHBondContact O-CB 3.37Å; Q6-N10 PolarHBondContact O-N 2.96Å; Q6-N10 PolarHBondContact O-ND2 2.88Å; Q6-N10 VanDerWaalsContact O-ND2 3.1Å; Q6-N10 PolarHBondContact O-OD1 2.79Å |
| 7 | L | 49.3 | Very low | 40.5 | Very low | 73 Ų | 73 | 99.6 Ų | 99.6 | 38% | 0.382 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.4 | -40.1 | 173.7 | -87.7 | 163.7 | 0 | 0 | 0 | 112.8 | V2 D3 M4 N10 L11 | V2-L7 HydrophobicContact CG1-CD1 3.64Å; V2-L7 HydrophobicContact CG1-CG 4.14Å; D3-L7 PolarHBondContact O-N 3.42Å; M4-L7 HydrophobicContact CE-CD1 4.17Å; M4-L7 PolarHBondContact O-N 3.16Å; M4-L7 HydrophobicContact SD-CB 4.33Å; M4-L7 HydrophobicContact SD-CD1 3.34Å; M4-L7 WeakPolarHBondContact SD-CD1 3.38Å; M4-L7 HydrophobicContact SD-CG 4.45Å; L7-N10 PolarHBondContact O-N 3.28Å; L7-L11 WeakPolarHBondContact O-CB 3.45Å; L7-L11 PolarHBondContact O-N 3.39Å |
| 8 | I | 52.3 | Low | 40.3 | Very low | 36 Ų | 36 | 103.2 Ų | 103.2 | 19% | 0.185 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -67.9 | -44 | 174.9 | -65.1 | 171.4 | 0 | 0 | 0 | 110.2 | M4 D5 N10 L11 E12 T322 I331 | M4-I8 PolarHBondContact O-N 3.05Å; M4-I8 VanDerWaalsContact O-N 3.16Å; D5-I8 PolarHBondContact O-N 3.37Å; I8-N10 VanDerWaalsContact C-N 3.33Å; I8-N10 PolarHBondContact O-N 3.2Å; I8-L11 PolarHBondContact O-N 2.91Å; I8-E12 PolarHBondContact O-N 3.34Å; I8-T322 HydrophobicContact CG2-CG2 4.45Å; I8-I331 HydrophobicContact CD1-CD1 3.96Å |
| 9 | N | 37 | Very low | 40 | Very low | 86 Ų | 86 | 101.9 Ų | 101.9 | 46% | 0.46 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.8 | -37.2 | 174.4 | -74.9 | -28.8 | 0 | 0 | 0 | 111.6 | D5 E12 V13 | D5-N9 VanDerWaalsContact O-CB 3.27Å; D5-N9 WeakPolarHBondContact O-CB 3.49Å; D5-N9 VanDerWaalsContact O-CG 3.23Å; D5-N9 PolarHBondContact O-N 3.3Å; D5-N9 PolarHBondContact O-ND2 3.47Å; D5-N9 VanDerWaalsContact O-ND2 3.16Å; N9-E12 PolarHBondContact O-N 3.17Å; N9-V13 VanDerWaalsContact O-CB 3.3Å; N9-V13 WeakPolarHBondContact O-CB 3.25Å; N9-V13 WeakPolarHBondContact O-CG2 3.49Å; N9-V13 PolarHBondContact O-N 3.49Å |
| 10 | N | 38 | Very low | 39.5 | Very low | 82 Ų | 82 | 99.7 Ų | 99.7 | 44% | 0.439 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -70.1 | -35 | 176.1 | -74.9 | -20.2 | 0 | 0 | 0 | 112.4 | Q6 L7 I8 V13 Q14 | Q6-N10 WeakPolarHBondContact O-CB 3.37Å; Q6-N10 PolarHBondContact O-N 2.96Å; Q6-N10 PolarHBondContact O-ND2 2.88Å; Q6-N10 VanDerWaalsContact O-ND2 3.1Å; Q6-N10 PolarHBondContact O-OD1 2.79Å; L7-N10 PolarHBondContact O-N 3.28Å; I8-N10 VanDerWaalsContact C-N 3.33Å; I8-N10 PolarHBondContact O-N 3.2Å; N10-V13 PolarHBondContact O-N 3.26Å; N10-Q14 VanDerWaalsContact O-CB 3.29Å; N10-Q14 WeakPolarHBondContact O-CB 3.25Å; N10-Q14 VanDerWaalsContact O-CG 3.31Å; N10-Q14 WeakPolarHBondContact O-CG 3.33Å; N10-Q14 PolarHBondContact O-N 3Å |
| 11 | L | 48.5 | Very low | 39 | Very low | 67 Ų | 67 | 99.8 Ų | 99.8 | 35% | 0.351 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.5 | -43.4 | 169.7 | -93.3 | 146.3 | 0 | 0 | 0 | 111.1 | L7 I8 Q14 L15 | L7-L11 WeakPolarHBondContact O-CB 3.45Å; L7-L11 PolarHBondContact O-N 3.39Å; I8-L11 PolarHBondContact O-N 2.91Å; L11-Q14 PolarHBondContact O-N 3.3Å; L11-L15 WeakPolarHBondContact O-CB 3.46Å; L11-L15 VanDerWaalsContact O-CD1 3.3Å; L11-L15 WeakPolarHBondContact O-CD1 3.27Å; L11-L15 WeakPolarHBondContact O-CG 3.48Å; L11-L15 PolarHBondContact O-N 2.89Å |
| 12 | E | 40.8 | Very low | 39.2 | Very low | 87 Ų | 87 | 96.3 Ų | 96.3 | 41% | 0.407 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.9 | -37.8 | 174.3 | -80.5 | -178.4 | 160.4 | 0 | 0 | 112.2 | I8 N9 L15 N16 | I8-E12 PolarHBondContact O-N 3.34Å; N9-E12 PolarHBondContact O-N 3.17Å; E12-L15 PolarHBondContact O-N 3.27Å; E12-N16 VanDerWaalsContact O-CB 3.25Å; E12-N16 WeakPolarHBondContact O-CB 3.17Å; E12-N16 PolarHBondContact O-N 3.2Å; E12-N16 PolarHBondContact O-ND2 3.48Å |
| 13 | V | 39.6 | Very low | 39.2 | Very low | 89 Ų | 89 | 98.8 Ų | 98.8 | 54% | 0.539 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -70.6 | -41.5 | 176.2 | 169.4 | 0 | 0 | 0 | 0 | 111.6 | N9 N10 L15 N16 S17 | N9-V13 VanDerWaalsContact O-CB 3.3Å; N9-V13 WeakPolarHBondContact O-CB 3.25Å; N9-V13 WeakPolarHBondContact O-CG2 3.49Å; N9-V13 PolarHBondContact O-N 3.49Å; N10-V13 PolarHBondContact O-N 3.26Å; V13-L15 VanDerWaalsContact C-N 3.29Å; V13-L15 PolarHBondContact O-N 3.42Å; V13-N16 PolarHBondContact O-N 3.23Å; V13-S17 WeakPolarHBondContact O-CB 3.37Å; V13-S17 PolarHBondContact O-N 3.39Å; V13-S17 PolarHBondContact O-OG 3.47Å |
| 14 | Q | 36 | Very low | 38.7 | Very low | 133 Ų | 133 | 99.8 Ų | 99.8 | 62% | 0.621 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.4 | -33.2 | 174.6 | -80.8 | -179.3 | -25.1 | 0 | 0 | 112.4 | N10 L11 S17 | N10-Q14 VanDerWaalsContact O-CB 3.29Å; N10-Q14 WeakPolarHBondContact O-CB 3.25Å; N10-Q14 VanDerWaalsContact O-CG 3.31Å; N10-Q14 WeakPolarHBondContact O-CG 3.33Å; N10-Q14 PolarHBondContact O-N 3Å; L11-Q14 PolarHBondContact O-N 3.3Å; Q14-S17 PolarHBondContact O-OG 2.84Å |
| 15 | L | 42.7 | Very low | 37.8 | Very low | 55 Ų | 55 | 104 Ų | 104 | 29% | 0.288 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -81.6 | -23 | 178.1 | -68.7 | 167 | 0 | 0 | 0 | 113.3 | L11 E12 V13 Y304 | L11-L15 WeakPolarHBondContact O-CB 3.46Å; L11-L15 VanDerWaalsContact O-CD1 3.3Å; L11-L15 WeakPolarHBondContact O-CD1 3.27Å; L11-L15 WeakPolarHBondContact O-CG 3.48Å; L11-L15 PolarHBondContact O-N 2.89Å; E12-L15 PolarHBondContact O-N 3.27Å; V13-L15 VanDerWaalsContact C-N 3.29Å; V13-L15 PolarHBondContact O-N 3.42Å; L15-Y304 HydrophobicContact CD2-CD1 4.34Å; L15-Y304 HydrophobicContact CD2-CE1 3.87Å |
| 16 | N | 34.5 | Very low | 37.1 | Very low | 130 Ų | 130 | 108.7 Ų | 108.7 | 70% | 0.695 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -93.9 | -19.2 | 178 | -69.4 | -28.7 | 0 | 0 | 0 | 113.4 | E12 V13 | E12-N16 VanDerWaalsContact O-CB 3.25Å; E12-N16 WeakPolarHBondContact O-CB 3.17Å; E12-N16 PolarHBondContact O-N 3.2Å; E12-N16 PolarHBondContact O-ND2 3.48Å; V13-N16 PolarHBondContact O-N 3.23Å |
| 17 | S | 33.9 | Very low | 36.4 | Very low | 90 Ų | 90 | 111.9 Ų | 111.9 | 63% | 0.629 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -78.5 | -18.2 | 174.8 | 69.1 | 0 | 0 | 0 | 0 | 113.4 | V13 Q14 G19 | V13-S17 WeakPolarHBondContact O-CB 3.37Å; V13-S17 PolarHBondContact O-N 3.39Å; V13-S17 PolarHBondContact O-OG 3.47Å; Q14-S17 PolarHBondContact O-OG 2.84Å; S17-G19 PolarHBondContact O-N 3.4Å |
| 18 | E | 36.2 | Very low | 35.3 | Very low | 163 Ų | 163 | 114.5 Ų | 114.5 | 76% | 0.762 | 63% | 0.625 | S | S | * | * | trans | -79.9 | 36.3 | 169.9 | -62 | -161.1 | 142.7 | 0 | 0 | 112.9 | G20 | E18-G20 PolarHBondContact O-N 3.26Š| ||
| 19 | G | 35.4 | Very low | 34.2 | Very low | 79 Ų | 79 | 119.6 Ų | 119.6 | 81% | 0.814 | 66% | 0.658 | S | S | * | * | trans | -74.9 | 7.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S17 | S17-G19 PolarHBondContact O-N 3.4Š| ||
| 20 | G | 30.4 | Very low | 33.7 | Very low | 58 Ų | 58 | 120.6 Ų | 120.6 | 60% | 0.598 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -142.8 | 120.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | E18 | E18-G20 PolarHBondContact O-N 3.26Š|
| 21 | S | 29.2 | Very low | 33.1 | Very low | 102 Ų | 102 | 122.5 Ų | 122.5 | 71% | 0.713 | 69% | 0.691 | S | S | * | * | trans | 63.8 | 90.5 | 163.6 | -164.1 | 0 | 0 | 0 | 0 | 117.2 | Q23 | S21-Q23 PolarHBondContact O-N 3.32Å; S21-Q23 WeakPolarHBondContact OG-CG 3.47Å | ||
| 22 | M | 35.3 | Very low | 32.3 | Very low | 170 Ų | 170 | 125.3 Ų | 125.3 | 84% | 0.837 | 71% | 0.711 | S | S | * | * | trans | -67.1 | 88.9 | 151.1 | -82.7 | -169.9 | 76 | 0 | 0 | 108.7 | K292 | M22-K292 PolarHBondContact SD-NZ 3.27Å; M22-K292 VanDerWaalsContact SD-NZ 3.38Å | ||
| 23 | Q | 34.8 | Very low | 31.7 | Very low | 159 Ų | 159 | 131.6 Ų | 131.6 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | -121.6 | 146 | 160 | -75.9 | -86.2 | 3.2 | 0 | 0 | 107.4 | S21 | S21-Q23 PolarHBondContact O-N 3.32Å; S21-Q23 WeakPolarHBondContact OG-CG 3.47Å | ||
| 24 | V | 27.3 | Very low | 31.1 | Very low | 115 Ų | 115 | 134.4 Ų | 134.4 | 70% | 0.697 | 74% | 0.743 | S | S | * | * | trans | 85.4 | 84.9 | 179.8 | -158.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 25 | F | 26.4 | Very low | 30.8 | Very low | 188 Ų | 188 | 140.1 Ų | 140.1 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | -164.8 | 101.8 | 100.3 | -97 | -77.1 | 0 | 0 | 0 | 108.5 | |||||
| 26 | K | 28.7 | Very low | 29.9 | Very low | 203 Ų | 203 | 144.3 Ų | 144.3 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -86.2 | 114 | 155.1 | -77.5 | -179.8 | 176.7 | 177.8 | 0 | 106.2 | ||||
| 27 | Q | 28.8 | Very low | 29.9 | Very low | 185 Ų | 185 | 143.7 Ų | 143.7 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | -131.5 | 128.9 | 144.5 | -84.4 | -165.2 | -7.6 | 0 | 0 | 108.7 | ||||
| 28 | V | 26.2 | Very low | 29.7 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | -71.9 | 125.5 | 179.1 | 171.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 29 | T | 27.4 | Very low | 29.4 | Very low | 144 Ų | 144 | 145.8 Ų | 145.8 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -139.2 | 103.1 | 137.9 | 51.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 30 | S | 27.5 | Very low | 29.3 | Very low | 107 Ų | 107 | 149.7 Ų | 149.7 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -73.3 | 120.1 | 158.1 | 48.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 31 | S | 24.8 | Very low | 29.3 | Very low | 121 Ų | 121 | 155.9 Ų | 155.9 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | -170.9 | 125.1 | 129.8 | -150.6 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 32 | V | 33 | Very low | 29.2 | Very low | 127 Ų | 127 | 159.9 Ų | 159.9 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | trans | -79 | 136.7 | 175.2 | 174.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 33 | R | 26.5 | Very low | 28.8 | Very low | 218 Ų | 218 | 162.1 Ų | 162.1 | 82% | 0.823 | 81% | 0.81 | S | S | * | * | 174.6 | 132.4 | 125.1 | -95 | 167.4 | -166.4 | 175 | 4.4 | 112.7 | |||||
| 34 | N | 28.3 | Very low | 28.7 | Very low | 149 Ų | 149 | 159.5 Ų | 159.5 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | 54.6 | 107.7 | 149.3 | -60.3 | -28.4 | 0 | 0 | 0 | 118.5 | ||||
| 35 | R | 28.6 | Very low | 28.8 | Very low | 252 Ų | 252 | 160.2 Ų | 160.2 | 95% | 0.951 | 81% | 0.809 | S | S | * | * | trans | -132.4 | 133.5 | 138.8 | -81.7 | -169.5 | 175.7 | 164.8 | -1.2 | 110.2 | ||||
| 36 | D | 25 | Very low | 28.7 | Very low | 143 Ų | 143 | 158 Ų | 158 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | trans | -50.7 | 151.6 | 178.3 | -85.7 | -66.7 | 0 | 0 | 0 | 114.6 | S38 | D36-S38 PolarHBondContact O-N 3.43Š| ||
| 37 | P | 34.2 | Very low | 28.7 | Very low | 117 Ų | 117 | 154.5 Ų | 154.5 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -86.3 | 88.1 | 175.9 | 34.2 | -29.8 | 0 | 0 | 0 | 110.6 | ||
| 38 | S | 29.4 | Very low | 28.6 | Very low | 102 Ų | 102 | 148.7 Ų | 148.7 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | -150 | 59.8 | 171.4 | 57.3 | 0 | 0 | 0 | 0 | 113.4 | D36 | D36-S38 PolarHBondContact O-N 3.43Š| ||
| 39 | E | 30.5 | Very low | 28.8 | Very low | 195 Ų | 195 | 148.2 Ų | 148.2 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | trans | -168 | 67.4 | 150.2 | -116.6 | -176.4 | 164.3 | 0 | 0 | 109.7 | ||||
| 40 | I | 33.3 | Very low | 28.9 | Very low | 162 Ų | 162 | 147.2 Ų | 147.2 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | trans | -106.4 | 77.2 | 165.9 | -54.4 | 177.2 | 0 | 0 | 0 | 107.4 | ||||
| 41 | E | 30.1 | Very low | 29 | Very low | 188 Ų | 188 | 149.6 Ų | 149.6 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | trans | -129.3 | 88 | 148.6 | -81.5 | -159.9 | 154.2 | 0 | 0 | 108.2 | ||||
| 42 | Y | 27.4 | Very low | 29.2 | Very low | 185 Ų | 185 | 151 Ų | 151 | 73% | 0.725 | 77% | 0.773 | S | S | * | * | trans | -128.8 | 88 | 152.7 | -152.6 | -100.3 | 0 | 0 | 0 | 109.7 | S44 | Y42-S44 PolarHBondContact O-N 3.47Å; Y42-S44 VanDerWaalsContact O-N 3.09Å | ||
| 43 | R | 27.4 | Very low | 29 | Very low | 218 Ų | 218 | 151.6 Ų | 151.6 | 82% | 0.823 | 77% | 0.771 | S | S | * | * | trans | -45.5 | 112.8 | 166.4 | -118.1 | 174 | 175.6 | 167.8 | -1.5 | 109 | N45 | R43-N45 PolarHBondContact O-N 3.27Š| ||
| 44 | S | 31.6 | Very low | 29.1 | Very low | 103 Ų | 103 | 145.3 Ų | 145.3 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -71.6 | 65.2 | 163.7 | -63.4 | 0 | 0 | 0 | 0 | 109.7 | Y42 | Y42-S44 PolarHBondContact O-N 3.47Å; Y42-S44 VanDerWaalsContact O-N 3.09Å |
| 45 | N | 29.2 | Very low | 29.4 | Very low | 130 Ų | 130 | 145.7 Ų | 145.7 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | trans | -161.1 | 94.4 | 168.8 | -96.1 | -12.2 | 0 | 0 | 0 | 108.6 | R43 | R43-N45 PolarHBondContact O-N 3.27Š| ||
| 46 | M | 25.8 | Very low | 29.8 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 70% | 0.7 | 76% | 0.758 | S | S | * | * | trans | -114.2 | 75.8 | 160.2 | -78.9 | -87.3 | -179 | 0 | 0 | 107.4 | S48 | M46-S48 PolarHBondContact O-N 3.19Š| ||
| 47 | T | 27.9 | Very low | 30.1 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 118.7 | 138.1 | -53.2 | 0 | 0 | 0 | 0 | 105.5 | ||
| 48 | S | 27.3 | Very low | 30.2 | Very low | 63 Ų | 63 | 142.4 Ų | 142.4 | 44% | 0.441 | 76% | 0.761 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 133.6 | -178.5 | -60.2 | 0 | 0 | 0 | 0 | 109.6 | M46 T50 | M46-S48 PolarHBondContact O-N 3.19Å; S48-T50 PolarHBondContact O-N 2.93Å |
| 49 | P | 29 | Very low | 30.1 | Very low | 117 Ų | 117 | 143.9 Ų | 143.9 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -69 | 125.4 | 164.4 | 27.5 | -28.9 | 0 | 0 | 0 | 108.3 | ||
| 50 | T | 29.3 | Very low | 30.4 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 147.3 | 166.9 | 37.7 | 0 | 0 | 0 | 0 | 111.1 | S48 | S48-T50 PolarHBondContact O-N 2.93Š|
| 51 | L | 30.7 | Very low | 30.4 | Very low | 156 Ų | 156 | 136.5 Ų | 136.5 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | trans | 85 | 127.5 | 165.8 | -53.3 | -173 | 0 | 0 | 0 | 115 | ||||
| 52 | L | 28.3 | Very low | 30.6 | Very low | 152 Ų | 152 | 135 Ų | 135 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | cis | -143.7 | 124 | 16.1 | -66.3 | 162.5 | 0 | 0 | 0 | 108.5 | A54 | L52-A54 VanDerWaalsContact C-N 3.33Å; L52-A54 PolarHBondContact O-N 3.24Å | ||
| 53 | D | 29.7 | Very low | 30.8 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | -74.3 | 93.5 | 160.7 | -87.8 | -28 | 0 | 0 | 0 | 107.2 | N55 | D53-N55 PolarHBondContact O-N 3.26Š| ||
| 54 | A | 27.6 | Very low | 31 | Very low | 86 Ų | 86 | 132.3 Ų | 132.3 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | trans | -67.8 | 118.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108 | L52 | L52-A54 VanDerWaalsContact C-N 3.33Å; L52-A54 PolarHBondContact O-N 3.24Å | ||
| 55 | N | 36.3 | Very low | 30.9 | Very low | 156 Ų | 156 | 134.7 Ų | 134.7 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | trans | -61.8 | 139.5 | 155.2 | -104.5 | -20.3 | 0 | 0 | 0 | 107.9 | D53 | D53-N55 PolarHBondContact O-N 3.26Š| ||
| 56 | P | 36.5 | Very low | 30.9 | Very low | 116 Ų | 116 | 136 Ų | 136 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | -134.4 | 138.8 | 114.4 | 24.7 | -7.2 | 0 | 0 | 0 | 113.1 | |||||
| 57 | M | 31.6 | Very low | 30.9 | Very low | 155 Ų | 155 | 137.5 Ų | 137.5 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | 1.6 | 132.9 | 154.7 | -63.9 | 175 | 64.4 | 0 | 0 | 120.1 | ||||
| 58 | E | 35.8 | Very low | 30.9 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | 45.1 | 110.5 | 129.8 | -52.9 | -165.6 | 136.8 | 0 | 0 | 119.4 | |||||
| 59 | N | 26.1 | Very low | 30.9 | Very low | 134 Ų | 134 | 142.6 Ų | 142.6 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | -175.8 | 108.1 | 123 | -164.8 | -10.5 | 0 | 0 | 0 | 111.3 | A61 | N59-A61 PolarHBondContact O-N 2.99Å; N59-A61 PolarHBondContact OD1-N 2.99Å | |||
| 60 | P | 37.5 | Very low | 31 | Very low | 137 Ų | 137 | 142.3 Ų | 142.3 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | trans | -95.5 | 68.8 | 171 | 37.2 | -28.6 | 0 | 0 | 0 | 109.9 | ||||
| 61 | A | 33.4 | Very low | 31.2 | Very low | 65 Ų | 65 | 142.5 Ų | 142.5 | 54% | 0.537 | 77% | 0.773 | S | S | . | * | trans | -152.3 | 81.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | N59 | N59-A61 PolarHBondContact O-N 2.99Å; N59-A61 PolarHBondContact OD1-N 2.99Å | ||
| 62 | L | 34.4 | Very low | 31.3 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | -177 | 161.5 | 146.7 | -105.4 | 157.9 | 0 | 0 | 0 | 108.7 | ||||
| 63 | F | 31.4 | Very low | 31.5 | Very low | 193 Ų | 193 | 146.5 Ų | 146.5 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | 88.5 | 58.5 | -176.1 | -47.1 | -69.8 | 0 | 0 | 0 | 115.1 | ||||
| 64 | N | 31.4 | Very low | 31.7 | Very low | 152 Ų | 152 | 148 Ų | 148 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -90.4 | 155.7 | 134.9 | -82.2 | -21.4 | 0 | 0 | 0 | 108.9 | ||||
| 65 | D | 29.4 | Very low | 31.8 | Very low | 154 Ų | 154 | 152.6 Ų | 152.6 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | 96.2 | 79.1 | 167.1 | -49.5 | -28.7 | 0 | 0 | 0 | 116.9 | ||||
| 66 | I | 28.7 | Very low | 31.6 | Very low | 157 Ų | 157 | 149.7 Ų | 149.7 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | trans | -116.9 | 100.5 | 145.6 | -59.5 | 176 | 0 | 0 | 0 | 107.1 | ||||
| 67 | K | 26.1 | Very low | 31.4 | Very low | 173 Ų | 173 | 149.2 Ų | 149.2 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -79.3 | 119.2 | 168.5 | -171.8 | 169 | 174.6 | -162.4 | 0 | 107.5 | E69 | K67-E69 IonicContact NZ-OE1 3.59Š| ||
| 68 | I | 27.6 | Very low | 31.3 | Very low | 155 Ų | 155 | 148.7 Ų | 148.7 | 80% | 0.795 | 80% | 0.8 | S | S | * | * | trans | -85.7 | 113 | 174.2 | -57.8 | 173.2 | 0 | 0 | 0 | 106.9 | ||||
| 69 | E | 28.1 | Very low | 31.1 | Very low | 146 Ų | 146 | 149.7 Ų | 149.7 | 68% | 0.682 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 140.7 | 161.5 | -67.7 | -165.3 | 171.5 | 0 | 0 | 109.4 | K67 | K67-E69 IonicContact NZ-OE1 3.59Š|
| 70 | P | 31.7 | Very low | 31.4 | Very low | 111 Ų | 111 | 148.3 Ų | 148.3 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 155.5 | -177.6 | 31.5 | -33.8 | 0 | 0 | 0 | 112.2 | ||
| 71 | P | 32.4 | Very low | 31.4 | Very low | 126 Ų | 126 | 150 Ų | 150 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 124.6 | 179.8 | 31.3 | -30.9 | 0 | 0 | 0 | 111 | ||
| 72 | E | 33.8 | Very low | 31.5 | Very low | 196 Ų | 196 | 152.2 Ų | 152.2 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 148.3 | 169.4 | -70.7 | -118.6 | 139.4 | 0 | 0 | 111.7 | ||
| 73 | E | 32.1 | Very low | 31.3 | Very low | 197 Ų | 197 | 153.4 Ų | 153.4 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 155.3 | -175.9 | -78.6 | -174.8 | 122.6 | 0 | 0 | 114.6 | ||
| 74 | L | 33.5 | Very low | 31.4 | Very low | 171 Ų | 171 | 150.9 Ų | 150.9 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 140.4 | 178.5 | -62.4 | 166.9 | 0 | 0 | 0 | 113.3 | ||
| 75 | L | 29.1 | Very low | 31.6 | Very low | 181 Ų | 181 | 151.6 Ų | 151.6 | 95% | 0.948 | 81% | 0.813 | S | S | * | * | trans | -134 | 131.7 | 148 | -93.9 | 164.2 | 0 | 0 | 0 | 109.7 | ||||
| 76 | A | 32.8 | Very low | 32.2 | Very low | 96 Ų | 96 | 150 Ų | 150 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | trans | -88 | 145.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 77 | S | 32.6 | Very low | 32.6 | Very low | 106 Ų | 106 | 149.2 Ų | 149.2 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | trans | -171.1 | 135.8 | 135.2 | 46.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 78 | D | 29.6 | Very low | 32.9 | Very low | 144 Ų | 144 | 147.8 Ų | 147.8 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | 73.8 | 107.2 | 139.6 | -62.5 | -28.5 | 0 | 0 | 0 | 124.8 | ||||
| 79 | F | 31.1 | Very low | 33.3 | Very low | 192 Ų | 192 | 148 Ų | 148 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | 49.1 | 106.4 | 120 | -98 | -91.8 | 0 | 0 | 0 | 120.1 | |||||
| 80 | S | 32.6 | Very low | 33.5 | Very low | 106 Ų | 106 | 146.4 Ų | 146.4 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | 168.4 | 132.9 | 99.7 | -74.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 81 | L | 37.9 | Very low | 33.8 | Very low | 171 Ų | 171 | 150.4 Ų | 150.4 | 90% | 0.895 | 83% | 0.827 | S | S | * | * | trans | -67.9 | 150.1 | 166.7 | -90.2 | 146.2 | 0 | 0 | 0 | 111.4 | ||||
| 82 | P | 34.7 | Very low | 34 | Very low | 113 Ų | 113 | 153.7 Ų | 153.7 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | trans | -130.3 | 126.9 | 137.6 | 28.8 | -12.7 | 0 | 0 | 0 | 113.6 | ||||
| 83 | Q | 31.4 | Very low | 34.1 | Very low | 182 Ų | 182 | 153.5 Ų | 153.5 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | trans | 25.5 | 121.6 | 137.4 | -55.3 | -84.1 | -0.2 | 0 | 0 | 118.5 | ||||
| 84 | V | 33.6 | Very low | 34.5 | Very low | 139 Ų | 139 | 150.1 Ų | 150.1 | 84% | 0.842 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 122.3 | 169.2 | 176.6 | 0 | 0 | 0 | 0 | 108.7 | ||
| 85 | E | 35.7 | Very low | 34.5 | Very low | 168 Ų | 168 | 152 Ų | 152 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 146.2 | 164.3 | -75.5 | -92.1 | 148.6 | 0 | 0 | 109.4 | ||
| 86 | P | 41.9 | Very low | 34.9 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 134.5 | -170.3 | 30.6 | -33.7 | 0 | 0 | 0 | 112.9 | ||
| 87 | V | 35.8 | Very low | 35.3 | Very low | 141 Ų | 141 | 148.2 Ų | 148.2 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 121.8 | 173.5 | -179.5 | 0 | 0 | 0 | 0 | 110 | ||
| 88 | D | 32 | Very low | 35.4 | Very low | 143 Ų | 143 | 151.8 Ų | 151.8 | 77% | 0.765 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 140.5 | 176.4 | -169.7 | 2.8 | 0 | 0 | 0 | 112 | ||
| 89 | L | 36.5 | Very low | 35.8 | Very low | 159 Ų | 159 | 153.2 Ų | 153.2 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -96.3 | 110.2 | -179.9 | -83.1 | 157.1 | 0 | 0 | 0 | 109.2 | ||||
| 90 | S | 33.3 | Very low | 36.1 | Very low | 112 Ų | 112 | 149.5 Ų | 149.5 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | trans | -141 | 122.8 | 164.2 | -77.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 91 | F | 37.3 | Very low | 36.2 | Very low | 195 Ų | 195 | 149.4 Ų | 149.4 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | trans | -66.1 | 139.2 | 176.5 | -85.5 | -102.8 | 0 | 0 | 0 | 112.7 | ||||
| 92 | H | 37.1 | Very low | 36 | Very low | 195 Ų | 195 | 146 Ų | 146 | 90% | 0.903 | 81% | 0.812 | S | S | * | * | trans | -153.8 | 119.2 | 142.1 | -97.5 | -62.6 | 0 | 0 | 0 | 113.9 | ||||
| 93 | K | 34.8 | Very low | 36 | Very low | 192 Ų | 192 | 148.4 Ų | 148.4 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | 6 | 145.4 | 151.8 | -151.3 | 163.9 | -177 | 173.9 | 0 | 121.7 | ||||
| 94 | P | 40.7 | Very low | 36.3 | Very low | 126 Ų | 126 | 148 Ų | 148 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -89.5 | 152.7 | -174.4 | 36.3 | -34.2 | 0 | 0 | 0 | 114.2 | ||||
| 95 | K | 34.1 | Very low | 36.4 | Very low | 211 Ų | 211 | 150.7 Ų | 150.7 | 92% | 0.917 | 82% | 0.821 | S | S | * | * | trans | -137.8 | 120.1 | 165.6 | -160.2 | 172.3 | -174.6 | -180 | 0 | 110 | ||||
| 96 | A | 36.8 | Very low | 36.4 | Very low | 86 Ų | 86 | 146.9 Ų | 146.9 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | trans | -99.4 | -176.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 97 | P | 42.1 | Very low | 36.2 | Very low | 111 Ų | 111 | 147.2 Ų | 147.2 | 72% | 0.721 | 82% | 0.821 | S | S | * | * | cis | -123.3 | 163.3 | -39.5 | 31.5 | -15.1 | 0 | 0 | 0 | 111.3 | ||||
| 98 | L | 34.1 | Very low | 36.3 | Very low | 181 Ų | 181 | 147.3 Ų | 147.3 | 95% | 0.948 | 82% | 0.821 | S | S | * | * | trans | -131.9 | 142.5 | 163 | -75.7 | 174.4 | 0 | 0 | 0 | 111.7 | ||||
| 99 | Q | 38.9 | Very low | 36.5 | Very low | 175 Ų | 175 | 151.5 Ų | 151.5 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 166.7 | -162.5 | -72.3 | -79.1 | -43.9 | 0 | 0 | 115.1 | ||
| 100 | P | 36.8 | Very low | 36.7 | Very low | 114 Ų | 114 | 149.3 Ų | 149.3 | 74% | 0.74 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 138.6 | -170.8 | 32.5 | -33.1 | 0 | 0 | 0 | 113 | ||
| 101 | A | 35.1 | Very low | 36.6 | Very low | 104 Ų | 104 | 150.2 Ų | 150.2 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 121.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 102 | S | 33.3 | Very low | 36.4 | Very low | 99 Ų | 99 | 150.3 Ų | 150.3 | 69% | 0.692 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 163.1 | 171 | -62 | 0 | 0 | 0 | 0 | 112.3 | ||
| 103 | M | 35.8 | Very low | 36.1 | Very low | 164 Ų | 164 | 147 Ų | 147 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | trans | 93.9 | 108 | 157.1 | -52.4 | -63.7 | 160.7 | 0 | 0 | 117 | ||||
| 104 | L | 36 | Very low | 35.9 | Very low | 173 Ų | 173 | 147.2 Ų | 147.2 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | -179.3 | 117 | 105.8 | -93.3 | 155.9 | 0 | 0 | 0 | 110.8 | |||||
| 105 | Q | 36.9 | Very low | 35.4 | Very low | 195 Ų | 195 | 147 Ų | 147 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | trans | -67.1 | 135.9 | 166.1 | -119.6 | 97.5 | 31 | 0 | 0 | 109.8 | ||||
| 106 | A | 35.9 | Very low | 35.3 | Very low | 88 Ų | 88 | 141.2 Ų | 141.2 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | trans | -117.1 | 153.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 107 | P | 37.4 | Very low | 34.9 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 83% | 0.831 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 146.8 | -155.5 | -7.5 | 25.5 | 0 | 0 | 0 | 114.4 | ||
| 108 | V | 37 | Very low | 34.3 | Very low | 143 Ų | 143 | 147.3 Ų | 147.3 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 129.7 | 171.9 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | ||
| 109 | R | 37.1 | Very low | 33.9 | Very low | 231 Ų | 231 | 145.2 Ų | 145.2 | 87% | 0.872 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 135.9 | 172 | -155.7 | 177.6 | -149.2 | -121.6 | 5 | 109.6 | ||
| 110 | P | 39.4 | Very low | 33.1 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 154.9 | 179.7 | 30.1 | -33.3 | 0 | 0 | 0 | 112.7 | ||
| 111 | P | 33.1 | Very low | 32.6 | Very low | 131 Ų | 131 | 145.6 Ų | 145.6 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 150.2 | -179.3 | 31.3 | -33.6 | 0 | 0 | 0 | 113.2 | ||
| 112 | K | 32.3 | Very low | 32 | Very low | 197 Ų | 197 | 146.7 Ų | 146.7 | 86% | 0.857 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 144.4 | 179.9 | -165.1 | 175.6 | -176.5 | -179.3 | 0 | 110.6 | ||
| 113 | P | 30.7 | Very low | 31.5 | Very low | 125 Ų | 125 | 147.4 Ų | 147.4 | 81% | 0.812 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 142.4 | -175.3 | 26.9 | -33.6 | 0 | 0 | 0 | 113.8 | ||
| 114 | Q | 30.1 | Very low | 31 | Very low | 197 Ų | 197 | 146.1 Ų | 146.1 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 140.2 | 175.2 | -72.5 | 176 | -21.8 | 0 | 0 | 111.7 | ||
| 115 | S | 29.8 | Very low | 30.4 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 84% | 0.839 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -92 | 135.1 | 173.7 | 52.3 | 0 | 0 | 0 | 0 | 111.9 | ||
| 116 | A | 32.3 | Very low | 29.8 | Very low | 91 Ų | 91 | 140.9 Ų | 140.9 | 75% | 0.752 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 152.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 117 | P | 29.3 | Very low | 29.4 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 141 | 173.6 | 32.9 | -30.9 | 0 | 0 | 0 | 112.1 | ||
| 118 | Q | 28.2 | Very low | 28.8 | Very low | 196 Ų | 196 | 141.7 Ų | 141.7 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 132 | 174.9 | -59.1 | -174 | 20.8 | 0 | 0 | 110.8 | ||
| 119 | T | 25.9 | Very low | 28.4 | Very low | 137 Ų | 137 | 142.6 Ų | 142.6 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 124.3 | 172.1 | 27.3 | 0 | 0 | 0 | 0 | 111.6 | ||
| 120 | L | 23.3 | Very low | 27.9 | Very low | 168 Ų | 168 | 137 Ų | 137 | 88% | 0.88 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 118.1 | 168.9 | -109 | 152.5 | 0 | 0 | 0 | 109.6 | ||
| 121 | V | 25 | Very low | 27.6 | Very low | 129 Ų | 129 | 138.7 Ų | 138.7 | 78% | 0.782 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 125.3 | 170.2 | -77.9 | 0 | 0 | 0 | 0 | 109.2 | ||
| 122 | V | 23.3 | Very low | 27.3 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 76% | 0.764 | 82% | 0.82 | S | S | * | * | trans | -125.2 | 117 | 166.4 | 173.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 123 | S | 23.3 | Very low | 27.1 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -91 | 130.9 | 175 | -47.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 124 | T | 24.8 | Very low | 27 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | trans | -129.4 | 119.8 | 156 | 50.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 125 | S | 23.8 | Very low | 26.8 | Very low | 114 Ų | 114 | 132 Ų | 132 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -76.5 | 135.1 | 178.4 | 50.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 126 | T | 24.6 | Very low | 26.6 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | -136.9 | 133.3 | 143.8 | 48.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 127 | S | 27.3 | Very low | 26.5 | Very low | 98 Ų | 98 | 133.2 Ų | 133.2 | 69% | 0.685 | 80% | 0.804 | S | S | * | * | trans | -81.6 | 131.2 | -176.6 | 58 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 128 | D | 24.7 | Very low | 26.4 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | 156 | 130.2 | 105 | -81.5 | -47.6 | 0 | 0 | 0 | 113.5 | |||||
| 129 | M | 28.5 | Very low | 26.3 | Very low | 162 Ų | 162 | 129.3 Ų | 129.3 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | trans | 54.5 | 92.8 | 145.9 | -65.4 | -72.8 | 100.3 | 0 | 0 | 119.4 | ||||
| 130 | S | 27.3 | Very low | 26.5 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | 161.5 | 122.3 | 98.6 | 47.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 131 | T | 31.6 | Very low | 26.6 | Very low | 147 Ų | 147 | 126.1 Ų | 126.1 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | 8.4 | 103.5 | 162.1 | -24.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 132 | S | 27.5 | Very low | 27 | Very low | 114 Ų | 114 | 123.8 Ų | 123.8 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -161.1 | 148.2 | 131.7 | -164.4 | 0 | 0 | 0 | 0 | 110.4 | N134 | S132-N134 PolarHBondContact O-N 3.4Š| ||
| 133 | A | 28.7 | Very low | 27.3 | Very low | 92 Ų | 92 | 120.4 Ų | 120.4 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | trans | -57.7 | 129.1 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I135 | A133-I135 PolarHBondContact O-N 3.3Š| ||
| 134 | N | 27.7 | Very low | 27.9 | Very low | 164 Ų | 164 | 119.8 Ų | 119.8 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | trans | -79.3 | 109.6 | 171.5 | -78.5 | -56.1 | 0 | 0 | 0 | 110.4 | S132 | S132-N134 PolarHBondContact O-N 3.4Š| ||
| 135 | I | 27.3 | Very low | 28.3 | Very low | 141 Ų | 141 | 119.2 Ų | 119.2 | 72% | 0.723 | 74% | 0.743 | S | S | * | * | trans | -100.1 | 122.1 | 157.8 | -61.6 | 165.1 | 0 | 0 | 0 | 106.6 | A133 T137 | A133-I135 PolarHBondContact O-N 3.3Å; I135-T137 PolarHBondContact O-N 2.83Å; I135-T137 VanDerWaalsContact O-N 3.1Å | ||
| 136 | P | 24.8 | Very low | 28.9 | Very low | 123 Ų | 123 | 118.5 Ų | 118.5 | 80% | 0.799 | 73% | 0.734 | S | S | * | * | trans | -71.4 | 107.8 | 178.9 | 27.4 | -31 | 0 | 0 | 0 | 109.9 | ||||
| 137 | T | 28.9 | Very low | 29.4 | Very low | 112 Ų | 112 | 115.4 Ų | 115.4 | 69% | 0.687 | 72% | 0.718 | S | S | * | * | trans | -100.5 | 119.5 | 170.5 | -56.8 | 0 | 0 | 0 | 0 | 109.1 | I135 L139 | I135-T137 PolarHBondContact O-N 2.83Å; I135-T137 VanDerWaalsContact O-N 3.1Å; T137-L139 PolarHBondContact O-N 3.45Å | ||
| 138 | V | 27.3 | Very low | 29.8 | Very low | 134 Ų | 134 | 115.4 Ų | 115.4 | 81% | 0.812 | 72% | 0.718 | S | S | * | * | trans | -73.2 | 114.9 | 173.5 | 178.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 139 | L | 27.2 | Very low | 30.5 | Very low | 110 Ų | 110 | 116.3 Ų | 116.3 | 58% | 0.576 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 121 | 177 | -70.1 | 166.7 | 0 | 0 | 0 | 110.6 | T137 | T137-L139 PolarHBondContact O-N 3.45Š|
| 140 | T | 29.5 | Very low | 30.9 | Very low | 102 Ų | 102 | 113.8 Ų | 113.8 | 63% | 0.626 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 159.6 | 169.9 | 40.9 | 0 | 0 | 0 | 0 | 111.2 | G142 S143 | T140-G142 PolarHBondContact O-N 2.96Å; T140-S143 PolarHBondContact O-N 3.42Å; T140-S143 PolarHBondContact O-OG 3.36Å |
| 141 | P | 25.7 | Very low | 31.3 | Very low | 136 Ų | 136 | 114.1 Ų | 114.1 | 88% | 0.883 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | 126.9 | 176.4 | -16 | 28.6 | 0 | 0 | 0 | 110.4 | ||
| 142 | G | 33.9 | Very low | 31.7 | Very low | 79 Ų | 79 | 110.7 Ų | 110.7 | 81% | 0.814 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 108.1 | 8.8 | -177 | 0 | 0 | 0 | 0 | 0 | 115.6 | T140 | T140-G142 PolarHBondContact O-N 2.96Š|
| 143 | S | 29.1 | Very low | 32.4 | Very low | 56 Ų | 56 | 109.3 Ų | 109.3 | 39% | 0.392 | 71% | 0.711 | S | S | . | * | trans | -77.1 | 125.2 | 179 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | T140 | T140-S143 PolarHBondContact O-N 3.42Å; T140-S143 PolarHBondContact O-OG 3.36Å | ||
| 144 | V | 35.2 | Very low | 32.8 | Very low | 102 Ų | 102 | 111.4 Ų | 111.4 | 62% | 0.618 | 71% | 0.705 | S | S | * | * | trans | -85.4 | 114.8 | 170.1 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | T146 | V144-T146 HydrophobicContact CG1-CG2 4.09Å; V144-T146 PolarHBondContact O-N 3.29Å | ||
| 145 | L | 33.2 | Very low | 33.1 | Very low | 124 Ų | 124 | 112.3 Ų | 112.3 | 65% | 0.649 | 70% | 0.704 | S | S | * | * | trans | -83.1 | 111.8 | 167.9 | -71.6 | 174.2 | 0 | 0 | 0 | 108.5 | ||||
| 146 | T | 36.1 | Very low | 33.7 | Very low | 99 Ų | 99 | 109.6 Ų | 109.6 | 61% | 0.607 | 69% | 0.69 | S | S | * | * | trans | -93.9 | 113.4 | 166.2 | 52.9 | 0 | 0 | 0 | 0 | 107.6 | V144 L157 | V144-T146 HydrophobicContact CG1-CG2 4.09Å; V144-T146 PolarHBondContact O-N 3.29Å; T146-L157 HydrophobicContact CG2-CD1 3.87Å | ||
| 147 | S | 35.8 | Very low | 34.2 | Very low | 79 Ų | 79 | 109.3 Ų | 109.3 | 55% | 0.552 | 68% | 0.682 | S | S | * | * | trans | -103.1 | 126 | 163.7 | -174.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 148 | S | 35.5 | Very low | 34.6 | Very low | 98 Ų | 98 | 110 Ų | 110 | 69% | 0.685 | 68% | 0.677 | S | S | * | * | trans | -107.6 | 118.4 | 170.9 | 59.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 149 | Q | 39.2 | Very low | 35 | Very low | 155 Ų | 155 | 107.4 Ų | 107.4 | 72% | 0.724 | 66% | 0.661 | S | S | * | * | trans | -104.8 | 121.6 | 161.6 | -73.7 | -172.3 | 12.8 | 0 | 0 | 107.6 | ||||
| 150 | S | 37.7 | Very low | 35.4 | Very low | 108 Ų | 108 | 108.5 Ų | 108.5 | 76% | 0.755 | 67% | 0.666 | S | S | * | * | B | Isolated β-bridge | trans | -93.4 | 112.1 | 172.3 | 156.2 | 0 | 0 | 0 | 0 | 108.2 | ||
| 151 | T | 36.3 | Very low | 35.6 | Very low | 121 Ų | 121 | 111.5 Ų | 111.5 | 74% | 0.742 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -137.7 | 112.4 | 160.3 | -19 | 0 | 0 | 0 | 0 | 107.6 | ||
| 152 | G | 38.2 | Very low | 35.9 | Very low | 76 Ų | 76 | 111.1 Ų | 111.1 | 78% | 0.784 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 67.7 | 49.8 | 171 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q154 | G152-Q154 PolarHBondContact O-N 2.74Š|
| 153 | G | 43.3 | Very low | 35.9 | Very low | 84 Ų | 84 | 114.2 Ų | 114.2 | 87% | 0.866 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 75.4 | 11.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 154 | Q | 36.5 | Very low | 35.9 | Very low | 137 Ų | 137 | 116.6 Ų | 116.6 | 64% | 0.64 | 68% | 0.678 | S | S | * | * | trans | -116.6 | 128 | 170.4 | -68.2 | -177.5 | 11 | 0 | 0 | 110.1 | G152 | G152-Q154 PolarHBondContact O-N 2.74Š| ||
| 155 | Q | 35.5 | Very low | 35.7 | Very low | 183 Ų | 183 | 117.5 Ų | 117.5 | 86% | 0.855 | 69% | 0.689 | S | S | * | * | B | Isolated β-bridge | trans | -92.9 | 117.3 | 163.2 | -79.9 | -177.1 | 16.4 | 0 | 0 | 108.4 | ||
| 156 | I | 38.3 | Very low | 35.5 | Very low | 84 Ų | 84 | 117.3 Ų | 117.3 | 43% | 0.431 | 69% | 0.693 | S | S | . | * | trans | -104.1 | 112.7 | 173.9 | -56.2 | 176.6 | 0 | 0 | 0 | 107.6 | ||||
| 157 | L | 35.2 | Very low | 35.2 | Very low | 117 Ų | 117 | 117.8 Ų | 117.8 | 61% | 0.613 | 70% | 0.7 | S | S | * | * | trans | -91.3 | 107.1 | 176.6 | -160.7 | 76.7 | 0 | 0 | 0 | 109.3 | T146 V159 | T146-L157 HydrophobicContact CG2-CD1 3.87Å; L157-V159 HydrophobicContact CD2-CG2 4.35Å | ||
| 158 | H | 37.6 | Very low | 34.9 | Very low | 127 Ų | 127 | 121.1 Ų | 121.1 | 59% | 0.588 | 71% | 0.711 | S | S | * | * | trans | -89.7 | 110.4 | 170.4 | -77.1 | -86 | 0 | 0 | 0 | 109.8 | ||||
| 159 | V | 35.5 | Very low | 34.6 | Very low | 79 Ų | 79 | 122.6 Ų | 122.6 | 48% | 0.479 | 72% | 0.718 | S | S | . | * | trans | -92.4 | 106 | 168.5 | -179.3 | 0 | 0 | 0 | 0 | 107.9 | L157 | L157-V159 HydrophobicContact CD2-CG2 4.35Š| ||
| 160 | I | 36.4 | Very low | 34.3 | Very low | 133 Ų | 133 | 122 Ų | 122 | 68% | 0.682 | 72% | 0.72 | S | S | * | * | trans | -93.1 | 108.3 | 176.9 | -56.8 | 174.1 | 0 | 0 | 0 | 108.2 | T162 | I160-T162 HydrophobicContact CG2-CG2 4.31Å; I160-T162 PolarHBondContact O-N 3.38Å | ||
| 161 | H | 33.4 | Very low | 34.5 | Very low | 165 Ų | 165 | 126.7 Ų | 126.7 | 76% | 0.764 | 73% | 0.727 | S | S | * | * | trans | -81 | 109.6 | 163.9 | -76 | -85.3 | 0 | 0 | 0 | 108.9 | I163 | H161-I163 PolarHBondContact O-N 3.49Š| ||
| 162 | T | 32.5 | Very low | 34.8 | Very low | 127 Ų | 127 | 129.1 Ų | 129.1 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | trans | -79 | 107.1 | 167.7 | 53.5 | 0 | 0 | 0 | 0 | 109 | I160 | I160-T162 HydrophobicContact CG2-CG2 4.31Å; I160-T162 PolarHBondContact O-N 3.38Å | ||
| 163 | I | 33.5 | Very low | 34.9 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 74% | 0.744 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -81 | 133.4 | 167.5 | -55.6 | 174.7 | 0 | 0 | 0 | 107.5 | H161 S165 | H161-I163 PolarHBondContact O-N 3.49Å; I163-S165 PolarHBondContact O-N 3.32Å |
| 164 | P | 29.5 | Very low | 34.3 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 69% | 0.688 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -68 | 124.2 | 170 | 27 | -31.1 | 0 | 0 | 0 | 110 | V166 | P164-V166 PolarHBondContact O-N 3.11Š|
| 165 | S | 29.6 | Very low | 34 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 84% | 0.839 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -59 | 121 | 172.1 | -44.6 | 0 | 0 | 0 | 0 | 110.3 | I163 | I163-S165 PolarHBondContact O-N 3.32Š|
| 166 | V | 30.7 | Very low | 33.7 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | -92.5 | 108.2 | 172.2 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | P164 L168 | P164-V166 PolarHBondContact O-N 3.11Å; V166-L168 HydrophobicContact CG1-CD1 4.13Å | ||
| 167 | S | 29.3 | Very low | 33.4 | Very low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | -81.1 | 115.5 | 167.1 | -75.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 168 | L | 29.5 | Very low | 33.1 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 131.9 | 168.4 | -76.9 | 98.6 | 0 | 0 | 0 | 110.4 | V166 | V166-L168 HydrophobicContact CG1-CD1 4.13Š|
| 169 | P | 28.8 | Very low | 32.6 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 84% | 0.844 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 130.3 | 168.9 | 29.3 | -30.6 | 0 | 0 | 0 | 110.3 | ||
| 170 | N | 32.1 | Very low | 32.1 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 145 | 170.4 | -160.5 | -1 | 0 | 0 | 0 | 110.2 | M172 | N170-M172 PolarHBondContact O-N 2.89Š|
| 171 | K | 43.1 | Very low | 31.7 | Very low | 208 Ų | 208 | 136.4 Ų | 136.4 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -72 | 10.1 | -167 | -147 | 175.2 | -178.3 | -178.6 | 0 | 115.1 | ||
| 172 | M | 41.5 | Very low | 31.6 | Very low | 171 Ų | 171 | 134.3 Ų | 134.3 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -149.1 | 76.2 | 175.1 | -71.9 | -174 | -73.7 | 0 | 0 | 110.7 | N170 G174 | N170-M172 PolarHBondContact O-N 2.89Å; M172-G174 PolarHBondContact O-N 3.21Å |
| 173 | G | 40.3 | Very low | 31.5 | Very low | 90 Ų | 90 | 136.7 Ų | 136.7 | 93% | 0.928 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 45.3 | 32.8 | 145 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||
| 174 | G | 32.2 | Very low | 31.6 | Very low | 55 Ų | 55 | 135 Ų | 135 | 57% | 0.567 | 79% | 0.792 | S | S | * | * | trans | -150.7 | 124.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | M172 K176 | M172-G174 PolarHBondContact O-N 3.21Å; G174-K176 PolarHBondContact O-N 3.1Å | ||
| 175 | L | 29.2 | Very low | 31.6 | Very low | 177 Ų | 177 | 137.1 Ų | 137.1 | 93% | 0.927 | 80% | 0.797 | S | S | * | * | trans | -76.2 | 114.3 | 175.2 | -74.7 | 160.6 | 0 | 0 | 0 | 109.8 | ||||
| 176 | K | 30.4 | Very low | 31.8 | Very low | 202 Ų | 202 | 135.7 Ų | 135.7 | 88% | 0.878 | 79% | 0.785 | S | S | * | * | trans | -106.3 | 113 | 163.2 | -86.6 | -178.7 | 175.8 | 179 | 0 | 108.9 | G174 I178 | G174-K176 PolarHBondContact O-N 3.1Å; K176-I178 PolarHBondContact O-N 3.09Å | ||
| 177 | T | 30.9 | Very low | 32.2 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | -71.5 | 118 | 167 | 5.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 178 | I | 28.4 | Very low | 32.2 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 73% | 0.728 | 78% | 0.776 | S | S | * | * | trans | -97.8 | 116.8 | 169.3 | -57.5 | 172.7 | 0 | 0 | 0 | 106.6 | K176 V180 | K176-I178 PolarHBondContact O-N 3.09Å; I178-V180 PolarHBondContact O-N 3Å; I178-V180 VanDerWaalsContact O-N 3.16Å | ||
| 179 | P | 27.3 | Very low | 32.7 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -71.4 | 110.1 | 172.6 | 28.1 | -30.7 | 0 | 0 | 0 | 108.9 | V181 | P179-V181 PolarHBondContact O-N 3.45Š| ||
| 180 | V | 25.7 | Very low | 32.8 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | -80.8 | 98.1 | 164.5 | -179.5 | 0 | 0 | 0 | 0 | 106.7 | I178 V182 | I178-V180 PolarHBondContact O-N 3Å; I178-V180 VanDerWaalsContact O-N 3.16Å; V180-V182 HydrophobicContact CG1-CG2 4.13Å; V180-V182 PolarHBondContact O-N 3.35Å | ||
| 181 | V | 27.7 | Very low | 33.1 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -73.4 | 104.5 | 167.7 | 178.2 | 0 | 0 | 0 | 0 | 106.9 | P179 Q183 | P179-V181 PolarHBondContact O-N 3.45Å; V181-Q183 PolarHBondContact O-N 2.86Å | ||
| 182 | V | 31.3 | Very low | 32.6 | Very low | 121 Ų | 121 | 131.7 Ų | 131.7 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | -78.5 | 111.1 | 169.3 | -176.3 | 0 | 0 | 0 | 0 | 107.2 | V180 S184 | V180-V182 HydrophobicContact CG1-CG2 4.13Å; V180-V182 PolarHBondContact O-N 3.35Å; V182-S184 PolarHBondContact O-N 3.09Å | ||
| 183 | Q | 30.4 | Very low | 32.3 | Very low | 177 Ų | 177 | 127.6 Ų | 127.6 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 116.4 | 171.8 | -163.5 | 171.7 | -2.1 | 0 | 0 | 108.3 | V181 L185 | V181-Q183 PolarHBondContact O-N 2.86Å; Q183-L185 PolarHBondContact O-N 2.75Å |
| 184 | S | 35.8 | Very low | 32.4 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -65 | 120.9 | 178.5 | 36.5 | 0 | 0 | 0 | 0 | 110.6 | V182 | V182-S184 PolarHBondContact O-N 3.09Š|
| 185 | L | 29.7 | Very low | 32.7 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -80 | 131.1 | 164.6 | -72.7 | 165.9 | 0 | 0 | 0 | 108.4 | Q183 M187 | Q183-L185 PolarHBondContact O-N 2.75Å; L185-M187 PolarHBondContact O-N 2.7Å |
| 186 | P | 34.2 | Very low | 33.4 | Very low | 91 Ų | 91 | 128.5 Ų | 128.5 | 59% | 0.591 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 130.2 | 178.5 | 27.4 | -31.8 | 0 | 0 | 0 | 110.7 | I206 | P186-I206 HydrophobicContact CG-CD1 4.36Š|
| 187 | M | 37.7 | Very low | 33.7 | Very low | 131 Ų | 131 | 120.9 Ų | 120.9 | 65% | 0.645 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 141.6 | 174.1 | -70.7 | -74.8 | 103.6 | 0 | 0 | 110.6 | L185 Y189 | L185-M187 PolarHBondContact O-N 2.7Å; M187-Y189 HydrophobicContact CB-CE2 4.16Å; M187-Y189 WeakPolarHBondContact O-CD2 3.44Å; M187-Y189 VanDerWaalsContact O-CE2 3.25Å; M187-Y189 WeakPolarHBondContact O-CE2 3.48Å |
| 188 | V | 30 | Very low | 33.9 | Very low | 110 Ų | 110 | 120.6 Ų | 120.6 | 67% | 0.667 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 128.3 | 170.1 | 178.3 | 0 | 0 | 0 | 0 | 108.2 | ||
| 189 | Y | 39.4 | Very low | 34.2 | Very low | 172 Ų | 172 | 116.7 Ų | 116.7 | 68% | 0.675 | 71% | 0.712 | S | S | * | * | trans | -113.6 | 128.4 | 174.1 | -61.2 | -82.5 | 0 | 0 | 0 | 110.1 | M187 | M187-Y189 HydrophobicContact CB-CE2 4.16Å; M187-Y189 WeakPolarHBondContact O-CD2 3.44Å; M187-Y189 VanDerWaalsContact O-CE2 3.25Å; M187-Y189 WeakPolarHBondContact O-CE2 3.48Å | ||
| 190 | T | 32.6 | Very low | 34.6 | Very low | 103 Ų | 103 | 114.7 Ų | 114.7 | 63% | 0.632 | 71% | 0.705 | S | S | * | * | trans | -89.8 | 124.7 | 166.4 | 30.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 191 | T | 36.4 | Very low | 35 | Very low | 109 Ų | 109 | 115.2 Ų | 115.2 | 67% | 0.669 | 70% | 0.702 | S | S | * | * | trans | -94.1 | 122.3 | 168 | 51.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 192 | L | 34.6 | Very low | 35.3 | Very low | 148 Ų | 148 | 114.5 Ų | 114.5 | 78% | 0.775 | 70% | 0.698 | S | S | * | * | trans | -96.5 | 114.8 | 170.2 | -78.5 | 163.8 | 0 | 0 | 0 | 107.8 | ||||
| 193 | P | 35 | Very low | 35.2 | Very low | 84 Ų | 84 | 113.5 Ų | 113.5 | 55% | 0.545 | 69% | 0.693 | S | S | . | * | trans | -73.7 | 144.2 | 167.7 | 27.8 | -29.4 | 0 | 0 | 0 | 110.2 | D195 | P193-D195 PolarHBondContact O-N 3.01Š| ||
| 194 | A | 41.5 | Very low | 35.5 | Very low | 105 Ų | 105 | 109.7 Ų | 109.7 | 87% | 0.868 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -67.2 | -4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 195 | D | 39.6 | Very low | 35.2 | Very low | 149 Ų | 149 | 112.7 Ų | 112.7 | 80% | 0.797 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -119.1 | 73.6 | -177.6 | -69 | -47.7 | 0 | 0 | 0 | 111.1 | P193 G197 | P193-D195 PolarHBondContact O-N 3.01Å; D195-G197 PolarHBondContact O-N 3.3Å |
| 196 | G | 42.9 | Very low | 35.5 | Very low | 88 Ų | 88 | 112 Ų | 112 | 91% | 0.907 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 47.7 | 12.4 | 151 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||
| 197 | G | 36.5 | Very low | 35.3 | Very low | 42 Ų | 42 | 110.4 Ų | 110.4 | 43% | 0.433 | 69% | 0.685 | S | S | . | * | P | Polyproline II helix | trans | -98.3 | 165 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D195 | D195-G197 PolarHBondContact O-N 3.3Š|
| 198 | P | 35.3 | Very low | 35.1 | Very low | 136 Ų | 136 | 107.2 Ų | 107.2 | 88% | 0.883 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 134.9 | -175.6 | 27.8 | -33.8 | 0 | 0 | 0 | 112.3 | ||
| 199 | A | 35 | Very low | 35.4 | Very low | 60 Ų | 60 | 109.2 Ų | 109.2 | 50% | 0.496 | 69% | 0.693 | S | S | . | * | P | Polyproline II helix | trans | -67.5 | 128 | -176 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 200 | A | 34.8 | Very low | 35.5 | Very low | 72 Ų | 72 | 105.1 Ų | 105.1 | 60% | 0.595 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 127.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 201 | I | 34 | Very low | 35.5 | Very low | 134 Ų | 134 | 109.4 Ų | 109.4 | 69% | 0.687 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 118.6 | 173.9 | -58.4 | 172.6 | 0 | 0 | 0 | 108 | V203 | I201-V203 HydrophobicContact CG2-CG2 4.12Š|
| 202 | T | 33.7 | Very low | 35.3 | Very low | 113 Ų | 113 | 112.6 Ų | 112.6 | 69% | 0.693 | 73% | 0.725 | S | S | * | * | trans | -108.8 | 123.2 | 172.9 | -52.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 203 | V | 31.2 | Very low | 35 | Very low | 101 Ų | 101 | 109.8 Ų | 109.8 | 61% | 0.612 | 72% | 0.724 | S | S | * | * | trans | -113 | 121.1 | 175.8 | -174.7 | 0 | 0 | 0 | 0 | 108.5 | I201 | I201-V203 HydrophobicContact CG2-CG2 4.12Š| ||
| 204 | P | 34.8 | Very low | 34.9 | Very low | 96 Ų | 96 | 109.4 Ų | 109.4 | 62% | 0.623 | 74% | 0.735 | S | S | * | * | trans | -76.9 | 126.1 | 171.6 | 28.9 | -29.7 | 0 | 0 | 0 | 110.2 | ||||
| 205 | L | 30.3 | Very low | 34.4 | Very low | 172 Ų | 172 | 110.4 Ų | 110.4 | 90% | 0.901 | 74% | 0.736 | S | S | * | * | trans | -83 | 115.9 | 167.2 | -70.6 | 172.9 | 0 | 0 | 0 | 108.7 | ||||
| 206 | I | 36.2 | Very low | 33.9 | Very low | 137 Ų | 137 | 109.4 Ų | 109.4 | 70% | 0.703 | 74% | 0.735 | S | S | * | * | trans | -94.4 | 99.8 | 171.2 | -52.8 | 174.1 | 0 | 0 | 0 | 107.1 | P186 | P186-I206 HydrophobicContact CG-CD1 4.36Š| ||
| 207 | G | 29.4 | Very low | 33.3 | Very low | 57 Ų | 57 | 114.7 Ų | 114.7 | 59% | 0.588 | 73% | 0.733 | S | S | * | * | trans | -67.1 | 141.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 208 | G | 34.7 | Very low | 33 | Very low | 63 Ų | 63 | 118.9 Ų | 118.9 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -49.3 | 149.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 209 | D | 36.5 | Very low | 32.7 | Very low | 152 Ų | 152 | 119.7 Ų | 119.7 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 91.4 | 34.9 | 174 | -23.7 | -22.5 | 0 | 0 | 0 | 116.3 | K211 | D209-K211 VanDerWaalsContact C-N 3.25Å; D209-K211 PolarHBondContact O-N 3.49Å |
| 210 | G | 39.7 | Very low | 32.5 | Very low | 86 Ų | 86 | 122.6 Ų | 122.6 | 89% | 0.887 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 47.1 | 32 | 144.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||
| 211 | K | 32.8 | Very low | 32.4 | Very low | 193 Ų | 193 | 125.7 Ų | 125.7 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | -136.4 | 127.6 | 175.5 | -69.7 | -178.5 | -179.8 | 176.3 | 0 | 109.6 | D209 A213 | D209-K211 VanDerWaalsContact C-N 3.25Å; D209-K211 PolarHBondContact O-N 3.49Å; K211-A213 PolarHBondContact O-N 3.38Å | ||
| 212 | N | 32.8 | Very low | 32.2 | Very low | 176 Ų | 176 | 124.2 Ų | 124.2 | 94% | 0.941 | 77% | 0.774 | S | S | * | * | trans | -66 | 113.4 | -176.1 | -149.5 | 5.8 | 0 | 0 | 0 | 109.9 | ||||
| 213 | A | 28.1 | Very low | 31.9 | Very low | 90 Ų | 90 | 127.6 Ų | 127.6 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | -107.2 | 131.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | K211 | K211-A213 PolarHBondContact O-N 3.38Š| ||
| 214 | G | 32.7 | Very low | 31.9 | Very low | 75 Ų | 75 | 128.2 Ų | 128.2 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 169.7 | -164.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 215 | S | 31.7 | Very low | 31.6 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75 | 136.2 | -177.5 | -52 | 0 | 0 | 0 | 0 | 113.1 | ||
| 216 | V | 29.6 | Very low | 31.3 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 123.5 | 166.3 | 177.9 | 0 | 0 | 0 | 0 | 108.5 | V218 | V216-V218 HydrophobicContact CG1-CG1 4.41Š|
| 217 | K | 30.2 | Very low | 30.7 | Very low | 199 Ų | 199 | 132 Ų | 132 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -83 | 130.2 | 166.4 | -81.2 | -179.2 | 172.7 | -176.8 | 0 | 108.6 | ||
| 218 | V | 29.8 | Very low | 30.5 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 79% | 0.788 | 82% | 0.821 | S | S | * | * | trans | -119 | 116.3 | 168.5 | -85.3 | 0 | 0 | 0 | 0 | 108.4 | V216 | V216-V218 HydrophobicContact CG1-CG1 4.41Š| ||
| 219 | D | 28 | Very low | 30.1 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 82% | 0.824 | 83% | 0.826 | S | S | * | * | trans | -81.7 | 130 | 173.8 | -80.7 | -54.6 | 0 | 0 | 0 | 110.2 | T221 | D219-T221 PolarHBondContact O-N 3.4Š| ||
| 220 | P | 31.3 | Very low | 29.4 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | trans | -95.2 | 81.7 | 176.8 | 35.5 | -28.8 | 0 | 0 | 0 | 109.8 | ||||
| 221 | T | 32.6 | Very low | 28.6 | Very low | 137 Ų | 137 | 140 Ų | 140 | 84% | 0.84 | 82% | 0.816 | S | S | * | * | trans | -148.6 | 83.8 | 162.8 | -54.9 | 0 | 0 | 0 | 0 | 109.5 | D219 | D219-T221 PolarHBondContact O-N 3.4Š| ||
| 222 | S | 29.7 | Very low | 28.3 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | trans | 178.4 | 84.4 | 162.1 | 159.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 223 | M | 28.4 | Very low | 28.2 | Very low | 183 Ų | 183 | 135.5 Ų | 135.5 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | trans | -161.7 | 106.1 | 144 | -81.4 | -43 | 157.3 | 0 | 0 | 107.4 | ||||
| 224 | S | 30.8 | Very low | 28.2 | Very low | 114 Ų | 114 | 138 Ų | 138 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 157.9 | 169.4 | -62.2 | 0 | 0 | 0 | 0 | 110.7 | ||
| 225 | P | 27.2 | Very low | 27.8 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 136.8 | -174.3 | -2.5 | 21.1 | 0 | 0 | 0 | 111 | ||
| 226 | L | 24 | Very low | 27.6 | Very low | 172 Ų | 172 | 139.2 Ų | 139.2 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -96 | 122.7 | 165.4 | -84.5 | 168.6 | 0 | 0 | 0 | 109.5 | ||
| 227 | E | 24.2 | Very low | 27.6 | Very low | 185 Ų | 185 | 140.7 Ų | 140.7 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 141.5 | 170.9 | -61.5 | -177.5 | 123.5 | 0 | 0 | 111 | ||
| 228 | I | 24.6 | Very low | 27.5 | Very low | 161 Ų | 161 | 140.3 Ų | 140.3 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -105.5 | 115.7 | 168.6 | -57.6 | 172.7 | 0 | 0 | 0 | 106.3 | ||||
| 229 | P | 26.6 | Very low | 27.5 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | trans | -85 | 140 | 168 | 22.2 | -11.2 | 0 | 0 | 0 | 111.3 | ||||
| 230 | S | 23.3 | Very low | 27.5 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | trans | -57.7 | 151.2 | 160.2 | -50.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 231 | D | 22.9 | Very low | 27.2 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | 165.2 | 116.7 | 138.9 | -78.4 | -23.9 | 0 | 0 | 0 | 107.3 | ||||
| 232 | S | 25.8 | Very low | 27 | Very low | 92 Ų | 92 | 135 Ų | 135 | 64% | 0.643 | 80% | 0.796 | S | S | * | * | 62.1 | 114.1 | 60.6 | -36.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 233 | E | 30.7 | Very low | 26.9 | Very low | 183 Ų | 183 | 135 Ų | 135 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | 77.3 | 151.3 | 147.6 | -36.6 | -130.1 | 127.1 | 0 | 0 | 115 | ||||
| 234 | E | 28.8 | Very low | 27.1 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 67% | 0.668 | 80% | 0.796 | S | S | * | * | cis | -167.8 | 140.2 | -12.4 | 164.8 | 174.8 | 119.9 | 0 | 0 | 103.9 | T236 | E234-T236 PolarHBondContact O-N 2.99Š| ||
| 235 | S | 24.2 | Very low | 27.4 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -75.7 | 113.9 | 171.5 | 53.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 236 | T | 27.8 | Very low | 27.7 | Very low | 117 Ų | 117 | 134 Ų | 134 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | trans | -114.1 | 121.9 | 160.9 | 32.3 | 0 | 0 | 0 | 0 | 110.3 | E234 | E234-T236 PolarHBondContact O-N 2.99Š| ||
| 237 | I | 29.7 | Very low | 28.7 | Very low | 157 Ų | 157 | 132.9 Ų | 132.9 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | trans | -87.9 | 117.3 | 174.6 | -58.3 | 163.5 | 0 | 0 | 0 | 105 | ||||
| 238 | E | 28.2 | Very low | 29.3 | Very low | 192 Ų | 192 | 133 Ų | 133 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | trans | -131.5 | 130 | 160.6 | -79.3 | -141.7 | 133.4 | 0 | 0 | 111.6 | ||||
| 239 | S | 27.9 | Very low | 29.6 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -86.1 | 138.6 | 171.4 | -57 | 0 | 0 | 0 | 0 | 108 | ||||
| 240 | G | 28.2 | Very low | 30 | Very low | 80 Ų | 80 | 132 Ų | 132 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -169.5 | 100.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 241 | S | 26.6 | Very low | 30.8 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -67.8 | 153.1 | 176.4 | 53 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 242 | S | 26.8 | Very low | 31.5 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | 78.4 | 109 | 146.2 | -57.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 243 | A | 28.6 | Very low | 32.1 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -155.7 | 112 | 131 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 244 | L | 32.5 | Very low | 33.4 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | trans | -67.9 | 145.8 | 157.1 | -74 | 171.2 | 0 | 0 | 0 | 108.8 | ||||
| 245 | Q | 36.6 | Very low | 33.8 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 72% | 0.715 | 80% | 0.803 | S | S | * | * | 158.9 | 133.2 | 100.5 | -130.7 | 98.1 | 29.5 | 0 | 0 | 111.9 | |||||
| 246 | S | 34.7 | Very low | 34.3 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | trans | 75.5 | 134.8 | 144.1 | -44.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 247 | L | 43.5 | Very low | 35 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 78% | 0.78 | 82% | 0.818 | S | S | * | * | cis | -150.8 | 129 | 24.4 | -72.2 | 165.8 | 0 | 0 | 0 | 108.4 | ||||
| 248 | Q | 38.2 | Very low | 35.6 | Very low | 186 Ų | 186 | 135 Ų | 135 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | 51.6 | 113.8 | 103.9 | -80.6 | 178.9 | -23.7 | 0 | 0 | 117.8 | |||||
| 249 | G | 30.8 | Very low | 36.5 | Very low | 73 Ų | 73 | 133.6 Ų | 133.6 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | 111.5 | 98.7 | 129.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 250 | L | 35.1 | Very low | 37.1 | Very low | 183 Ų | 183 | 137 Ų | 137 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | -174.7 | 128.5 | 113.6 | -90.7 | 172.6 | 0 | 0 | 0 | 109 | |||||
| 251 | Q | 39.9 | Very low | 37.5 | Very low | 178 Ų | 178 | 140.8 Ų | 140.8 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -90.1 | 164.1 | 175 | -78.9 | 172.8 | -13.1 | 0 | 0 | 110.9 | ||||
| 252 | Q | 37.3 | Very low | 38.7 | Very low | 186 Ų | 186 | 139 Ų | 139 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | 90.9 | 137.9 | 166.4 | -55.2 | 173.7 | 17.6 | 0 | 0 | 114.8 | ||||
| 253 | E | 38.6 | Very low | 39.7 | Very low | 170 Ų | 170 | 142.9 Ų | 142.9 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | cis | -172.4 | -173.4 | -23.4 | -121.3 | -64.8 | 96.1 | 0 | 0 | 104.1 | ||||
| 254 | P | 56.9 | Low | 40.8 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 66% | 0.662 | 81% | 0.811 | S | S | * | * | trans | -106.1 | -172 | -133.1 | 42.2 | -26.6 | 0 | 0 | 0 | 114.3 | ||||
| 255 | A | 37.6 | Very low | 41.6 | Very low | 100 Ų | 100 | 143.1 Ų | 143.1 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | 100.8 | 87.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 256 | A | 34.8 | Very low | 42.4 | Very low | 103 Ų | 103 | 142.8 Ų | 142.8 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -137.9 | 89 | 141.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | A258 | A256-A258 PolarHBondContact O-N 2.84Š| ||
| 257 | M | 43.5 | Very low | 43.2 | Very low | 195 Ų | 195 | 145.4 Ų | 145.4 | 96% | 0.961 | 81% | 0.807 | S | S | * | * | trans | -72.8 | 112.2 | 157.1 | -75.9 | -173.8 | -106.5 | 0 | 0 | 107.6 | ||||
| 258 | A | 41.7 | Very low | 43.8 | Very low | 81 Ų | 81 | 145.4 Ų | 145.4 | 67% | 0.669 | 81% | 0.807 | S | S | * | * | trans | -155.7 | 89.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | A256 | A256-A258 PolarHBondContact O-N 2.84Š| ||
| 259 | Q | 46.2 | Very low | 44.7 | Very low | 163 Ų | 163 | 144.9 Ų | 144.9 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | 42.9 | 90.7 | 132.9 | -59.6 | 174.2 | -27.9 | 0 | 0 | 116.9 | ||||
| 260 | M | 40.2 | Very low | 46.1 | Very low | 189 Ų | 189 | 152.5 Ų | 152.5 | 93% | 0.931 | 81% | 0.808 | S | S | * | * | trans | -111.2 | 81.5 | 139.9 | -73.7 | -80.2 | -73.2 | 0 | 0 | 106 | ||||
| 261 | Q | 38.1 | Very low | 47.5 | Very low | 161 Ų | 161 | 153 Ų | 153 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -59.1 | 136.9 | 166.3 | -71.5 | 176 | -18.3 | 0 | 0 | 107.9 | ||||
| 262 | G | 50.4 | Low | 49.4 | Very low | 73 Ų | 73 | 153.8 Ų | 153.8 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -64.8 | 134.8 | -164.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 263 | E | 48.6 | Very low | 51.9 | Low | 201 Ų | 201 | 150.7 Ų | 150.7 | 94% | 0.939 | 78% | 0.78 | S | S | * | * | trans | -138 | 40 | 157.8 | -62.3 | -156.6 | 167.6 | 0 | 0 | 110.2 | ||||
| 264 | E | 52.4 | Low | 54.3 | Low | 183 Ų | 183 | 144.4 Ų | 144.4 | 86% | 0.855 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -123.5 | 124.7 | 170.2 | -153.6 | -175.8 | 144 | 0 | 0 | 109.7 | ||
| 265 | S | 49.6 | Very low | 56 | Low | 73 Ų | 73 | 145.6 Ų | 145.6 | 51% | 0.51 | 75% | 0.747 | S | S | . | * | trans | 81.1 | 49.7 | 164.6 | -170.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 266 | L | 52.1 | Low | 58.7 | Low | 147 Ų | 147 | 141.2 Ų | 141.2 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -96.2 | -12.9 | 155.6 | -69.1 | -176.6 | 0 | 0 | 0 | 114.5 | K269 | L266-K269 PolarHBondContact O-N 3.13Š|
| 267 | D | 51.8 | Low | 61.4 | Low | 158 Ų | 158 | 141.9 Ų | 141.9 | 85% | 0.845 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -18.2 | -178.8 | -84 | -66.1 | 0 | 0 | 0 | 115.4 | ||
| 268 | L | 55.9 | Low | 63.7 | Low | 148 Ų | 148 | 137.6 Ų | 137.6 | 78% | 0.775 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -12 | 171.8 | -90.5 | 78.8 | 0 | 0 | 0 | 113.4 | R270 | L268-R270 PolarHBondContact O-N 2.95Š|
| 269 | K | 57.2 | Low | 66.2 | Low | 175 Ų | 175 | 138.1 Ų | 138.1 | 76% | 0.761 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | 9.8 | -166.5 | -134.1 | 158.4 | -171.9 | 170.9 | 0 | 115.5 | L266 | L266-K269 PolarHBondContact O-N 3.13Š|
| 270 | R | 60.2 | Low | 68.2 | Low | 234 Ų | 234 | 134.6 Ų | 134.6 | 88% | 0.883 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.5 | 33.2 | 173.7 | -154.2 | -177.5 | -78 | -149.1 | -2.5 | 115.1 | L268 R272 | L268-R270 PolarHBondContact O-N 2.95Å; R270-R272 PolarHBondContact O-N 3.41Å; R270-R272 VanDerWaalsContact O-N 3.16Å |
| 271 | R | 64.2 | Low | 70.7 | Confident | 194 Ų | 194 | 126.4 Ų | 126.4 | 73% | 0.732 | 65% | 0.649 | S | S | * | * | trans | -79.1 | 96 | 157.8 | -75.2 | -169.1 | -171.8 | -148 | 2.4 | 108.3 | I273 | R271-I273 PolarHBondContact O-N 2.86Š| ||
| 272 | R | 79.6 | Confident | 73.3 | Confident | 194 Ų | 194 | 123.9 Ų | 123.9 | 73% | 0.732 | 65% | 0.649 | S | S | * | * | trans | -58.2 | 111.8 | 171 | -177.9 | -176.6 | -72 | 176.1 | -2.6 | 108.2 | R270 H274 | R270-R272 PolarHBondContact O-N 3.41Å; R270-R272 VanDerWaalsContact O-N 3.16Å; R272-H274 PolarHBondContact O-CD2 3.33Å; R272-H274 VanDerWaalsContact O-CD2 3.31Å | ||
| 273 | I | 89.6 | Confident | 75.3 | Confident | 120 Ų | 120 | 126 Ų | 126 | 62% | 0.615 | 64% | 0.637 | S | S | * | * | trans | -78.5 | 133.5 | 173.9 | -59.3 | 171.9 | 0 | 0 | 0 | 107.9 | R271 V284 | R271-I273 PolarHBondContact O-N 2.86Å; I273-V284 HydrophobicContact CG2-CB 3.95Å; I273-V284 HydrophobicContact CG2-CG1 4.24Å | ||
| 274 | H | 90.6 | Very high | 77.5 | Confident | 38 Ų | 38 | 120.5 Ų | 120.5 | 18% | 0.176 | 62% | 0.617 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.4 | 99 | -179.2 | -67.5 | -76.2 | 0 | 0 | 0 | 109.1 | R272 V284 Y285 S288 L291 | R272-H274 PolarHBondContact O-CD2 3.33Å; R272-H274 VanDerWaalsContact O-CD2 3.31Å; H274-V284 CarbonylContact O-C 3.2Å; H274-Y285 WeakPolarHBondContact CA-O 3.31Å; H274-Y285 WeakPolarHBondContact CB-O 3.35Å; H274-Y285 PolarHBondContact N-O 3.43Å; H274-Y285 PolarHBondContact O-N 3.27Å; H274-S288 PolarHBondContact CD2-N 2.74Å; H274-S288 PolarHBondContact NE2-N 3.11Å; H274-L291 HydrophobicContact CB-CB 3.89Å; H274-L291 HydrophobicContact CB-CD2 3.74Å; H274-L291 HydrophobicContact CB-CG 4.39Å |
| 275 | Q | 92 | Very high | 79.4 | Confident | 128 Ų | 128 | 114 Ų | 114 | 60% | 0.598 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.3 | 146.5 | 178.2 | -173.3 | 169.9 | 18.3 | 0 | 0 | 111.5 | V284 L291 | Q275-V284 HydrophobicContact CB-CG1 3.99Å; Q275-V284 HydrophobicContact CG-CG1 3.86Å; Q275-L291 WeakPolarHBondContact O-CD2 3.4Å |
| 276 | C | 93.6 | Very high | 81.4 | Confident | 8 Ų | 8 | 114.6 Ų | 114.6 | 5% | 0.054 | 59% | 0.586 | C | S | . | * | trans | -72.2 | 132.4 | 169.8 | -169.7 | 0 | 0 | 0 | 0 | 111.3 | F278 C281 K283 L291 H294 | C276-F278 VanDerWaalsContact SG-CB 3.6Å; C276-F278 PolarHBondContact SG-N 3.31Å; C276-C281 HydrophobicContact CB-CB 4.24Å; C276-K283 PolarHBondContact N-O 3.24Å; C276-L291 HydrophobicContact CB-CD1 4.02Å; C276-H294 PolarHBondContact SG-NE2 3.47Å | ||
| 277 | D | 92.1 | Very high | 83.1 | Confident | 117 Ų | 117 | 113.3 Ų | 113.3 | 63% | 0.626 | 57% | 0.574 | S | S | * | * | trans | -86.9 | -3.8 | 178.9 | 56.1 | -26.8 | 0 | 0 | 0 | 113.4 | R295 | D277-R295 IonicContact OD1-NE 3.26Å; D277-R295 PolarHBondContact OD1-NE 2.96Å; D277-R295 IonicContact OD2-NE 3.9Å; D277-R295 IonicContact OD2-NH2 3.71Å | ||
| 278 | F | 92.2 | Very high | 84.9 | Confident | 105 Ų | 105 | 109.2 Ų | 109.2 | 46% | 0.461 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -76.2 | 135.7 | -175.4 | -164.9 | -95.4 | 0 | 0 | 0 | 112 | C276 G280 C281 H298 | C276-F278 VanDerWaalsContact SG-CB 3.6Å; C276-F278 PolarHBondContact SG-N 3.31Å; F278-G280 PolarHBondContact O-N 3.38Å; F278-C281 HydrophobicContact CB-CB 4.04Å; F278-C281 HydrophobicContact CD1-CB 4.49Å; F278-C281 WeakPolarHBondContact O-CB 3.47Å; F278-C281 PolarHBondContact O-N 2.65Å; F278-H298 HydrophobicContact CB-CB 4.47Å; F278-H298 HydrophobicContact CD1-CB 4.28Å; F278-H298 AromaticContact CD1-CE1 3.46Å; F278-H298 VanDerWaalsContact CD1-CE1 3.46Å; F278-H298 WeakPolarHBondContact CD1-CE1 3.25Å; F278-H298 AromaticContact CD1-CG 3.65Å; F278-H298 AromaticContact CD1-ND1 3.17Å; F278-H298 WeakPolarHBondContact CD1-ND1 3.31Å; F278-H298 HydrophobicContact CD2-CB 3.55Å; F278-H298 AromaticContact CD2-CG 3.69Å; F278-H298 HydrophobicContact CE1-CB 4.41Å; F278-H298 AromaticContact CE1-ND1 3.48Å; F278-H298 WeakPolarHBondContact CE1-ND1 3.36Å; F278-H298 HydrophobicContact CE2-CB 3.71Å; F278-H298 HydrophobicContact CG-CB 3.84Å; F278-H298 AromaticContact CG-CD2 3.74Å; F278-H298 AromaticContact CG-CE1 3.83Å; F278-H298 AromaticContact CG-CG 3.4Å; F278-H298 VanDerWaalsContact CG-CG 3.4Å; F278-H298 AromaticContact CG-ND1 3.47Å; F278-H298 WeakPolarHBondContact CG-ND1 3.38Å; F278-H298 HydrophobicContact CZ-CB 4.13Å |
| 279 | A | 92.8 | Very high | 86.4 | Confident | 91 Ų | 91 | 105.4 Ų | 105.4 | 75% | 0.752 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 126.1 | -180 | 0 | 0 | 0 | 0 | 0 | 111.2 | C281 | A279-C281 VanDerWaalsContact C-N 3.3Å; A279-C281 PolarHBondContact O-N 3.47Å |
| 280 | G | 90.1 | Very high | 88 | Confident | 90 Ų | 90 | 101.3 Ų | 101.3 | 93% | 0.928 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | 5.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | F278 | F278-G280 PolarHBondContact O-N 3.38Š|
| 281 | C | 91.4 | Very high | 89.5 | Confident | 16 Ų | 16 | 91.2 Ų | 91.2 | 11% | 0.108 | 49% | 0.491 | C | S | . | . | trans | -104.6 | 116.8 | 174.1 | -170 | 0 | 0 | 0 | 0 | 111.7 | C276 F278 A279 H294 H298 | C276-C281 HydrophobicContact CB-CB 4.24Å; F278-C281 HydrophobicContact CB-CB 4.04Å; F278-C281 HydrophobicContact CD1-CB 4.49Å; F278-C281 WeakPolarHBondContact O-CB 3.47Å; F278-C281 PolarHBondContact O-N 2.65Å; A279-C281 VanDerWaalsContact C-N 3.3Å; A279-C281 PolarHBondContact O-N 3.47Å; C281-H294 PolarHBondContact SG-NE2 3.47Å; C281-H298 PolarHBondContact SG-NE2 2.92Å | ||
| 282 | S | 92.4 | Very high | 90.7 | Very high | 108 Ų | 108 | 87 Ų | 87 | 76% | 0.755 | 48% | 0.478 | S | S | * | . | trans | -101.3 | 20.4 | 177.5 | -51 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 283 | K | 93.7 | Very high | 91 | Very high | 117 Ų | 117 | 78.8 Ų | 78.8 | 51% | 0.509 | 45% | 0.451 | S | S | . | . | trans | -78.5 | 135.4 | -176.8 | -63 | -161.4 | -173.5 | -134.5 | 0 | 112 | C276 Y285 | C276-K283 PolarHBondContact N-O 3.24Å; K283-Y285 HydrophobicContact CB-CE2 3.8Å; K283-Y285 WeakPolarHBondContact CB-OH 3.47Å; K283-Y285 VanDerWaalsContact CD-OH 3.25Å; K283-Y285 WeakPolarHBondContact CD-OH 3.43Å | ||
| 284 | V | 93.3 | Very high | 91 | Very high | 86 Ų | 86 | 73.6 Ų | 73.6 | 52% | 0.521 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 146 | 177.9 | -66.5 | 0 | 0 | 0 | 0 | 110.7 | I273 H274 Q275 | I273-V284 HydrophobicContact CG2-CB 3.95Å; I273-V284 HydrophobicContact CG2-CG1 4.24Å; H274-V284 CarbonylContact O-C 3.2Å; Q275-V284 HydrophobicContact CB-CG1 3.99Å; Q275-V284 HydrophobicContact CG-CG1 3.86Å |
| 285 | Y | 92.5 | Very high | 91 | Very high | 48 Ų | 48 | 77 Ų | 77 | 19% | 0.188 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 146.7 | -175.9 | -58.8 | -84.3 | 0 | 0 | 0 | 110.5 | H274 K283 H290 L291 H294 | H274-Y285 WeakPolarHBondContact CA-O 3.31Å; H274-Y285 WeakPolarHBondContact CB-O 3.35Å; H274-Y285 PolarHBondContact N-O 3.43Å; H274-Y285 PolarHBondContact O-N 3.27Å; K283-Y285 HydrophobicContact CB-CE2 3.8Å; K283-Y285 WeakPolarHBondContact CB-OH 3.47Å; K283-Y285 VanDerWaalsContact CD-OH 3.25Å; K283-Y285 WeakPolarHBondContact CD-OH 3.43Å; Y285-H290 HydrophobicContact CD1-CB 3.61Å; Y285-H290 HydrophobicContact CE1-CB 4.41Å; Y285-H290 HydrophobicContact CG-CB 4.03Å; Y285-L291 HydrophobicContact CD2-CB 3.86Å; Y285-L291 HydrophobicContact CD2-CD1 3.85Å; Y285-L291 HydrophobicContact CD2-CG 4.47Å; Y285-L291 HydrophobicContact CE2-CD1 4.1Å; Y285-L291 HydrophobicContact CG-CB 4.28Å; Y285-H294 HydrophobicContact CE1-CB 4.17Å; Y285-H294 HydrophobicContact CE2-CB 3.67Å; Y285-H294 AromaticContact CE2-CD2 3.33Å; Y285-H294 WeakPolarHBondContact CE2-CD2 3.24Å; Y285-H294 AromaticContact CE2-CG 3.54Å; Y285-H294 VanDerWaalsContact CZ-CB 3.43Å; Y285-H294 AromaticContact CZ-CD2 3.68Å; Y285-H294 AromaticContact CZ-CG 3.41Å; Y285-H294 VanDerWaalsContact CZ-CG 3.41Å; Y285-H294 VanDerWaalsContact OH-CB 3.25Å; Y285-H294 WeakPolarHBondContact OH-CB 3.38Å; Y285-H294 PolarHBondContact OH-CD2 2.82Å; Y285-H294 VanDerWaalsContact OH-CD2 3.3Å; Y285-H294 PolarHBondContact OH-ND1 3.23Å |
| 286 | T | 91.6 | Very high | 90.8 | Very high | 84 Ų | 84 | 72.8 Ų | 72.8 | 52% | 0.515 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -85.1 | -12.3 | 174.7 | 52.9 | 0 | 0 | 0 | 0 | 113 | ||
| 287 | K | 89 | Confident | 90.5 | Very high | 120 Ų | 120 | 77.6 Ų | 77.6 | 52% | 0.522 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -126.7 | 137 | -179.8 | -61.4 | -174.6 | -177.8 | -179.2 | 0 | 110.6 | S289 H290 L291 | K287-S289 VanDerWaalsContact C-N 3.29Å; K287-S289 PolarHBondContact O-N 3.33Å; K287-H290 HydrophobicContact CB-CB 4.44Å; K287-H290 PolarHBondContact O-N 2.87Å; K287-L291 PolarHBondContact O-N 3.32Å |
| 288 | S | 88.8 | Confident | 90.4 | Very high | 72 Ų | 72 | 74.7 Ų | 74.7 | 50% | 0.503 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.8 | -36 | 176.8 | 57.7 | 0 | 0 | 0 | 0 | 112.6 | H274 H290 L291 K292 | H274-S288 PolarHBondContact CD2-N 2.74Å; H274-S288 PolarHBondContact NE2-N 3.11Å; S288-H290 VanDerWaalsContact C-N 3.31Å; S288-H290 PolarHBondContact O-N 3.34Å; S288-L291 PolarHBondContact O-N 3.34Å; S288-K292 PolarHBondContact O-N 3.32Å |
| 289 | S | 88.2 | Confident | 90.1 | Very high | 68 Ų | 68 | 73.5 Ų | 73.5 | 48% | 0.476 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 176.9 | 56.6 | 0 | 0 | 0 | 0 | 112.2 | K287 K292 A293 | K287-S289 VanDerWaalsContact C-N 3.29Å; K287-S289 PolarHBondContact O-N 3.33Å; S289-K292 PolarHBondContact O-N 3.43Å; S289-A293 WeakPolarHBondContact O-CB 3.39Å; S289-A293 PolarHBondContact O-N 3.27Å |
| 290 | H | 90.1 | Very high | 89.9 | Confident | 89 Ų | 89 | 71.5 Ų | 71.5 | 41% | 0.412 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69.2 | -41.3 | 176.6 | -65.3 | 179.6 | 0 | 0 | 0 | 111.6 | Y285 K287 S288 K292 A293 H294 | Y285-H290 HydrophobicContact CD1-CB 3.61Å; Y285-H290 HydrophobicContact CE1-CB 4.41Å; Y285-H290 HydrophobicContact CG-CB 4.03Å; K287-H290 HydrophobicContact CB-CB 4.44Å; K287-H290 PolarHBondContact O-N 2.87Å; S288-H290 VanDerWaalsContact C-N 3.31Å; S288-H290 PolarHBondContact O-N 3.34Å; H290-K292 VanDerWaalsContact C-N 3.35Å; H290-A293 PolarHBondContact O-N 3.45Å; H290-H294 VanDerWaalsContact O-CB 3.27Å; H290-H294 WeakPolarHBondContact O-CB 3.43Å; H290-H294 PolarHBondContact O-N 3.29Å |
| 291 | L | 91.8 | Very high | 89.8 | Confident | 23 Ų | 23 | 72.8 Ų | 72.8 | 12% | 0.12 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 172.8 | 174.2 | 62.8 | 0 | 0 | 0 | 111.1 | H274 Q275 C276 Y285 K287 S288 A293 H294 R295 | H274-L291 HydrophobicContact CB-CB 3.89Å; H274-L291 HydrophobicContact CB-CD2 3.74Å; H274-L291 HydrophobicContact CB-CG 4.39Å; Q275-L291 WeakPolarHBondContact O-CD2 3.4Å; C276-L291 HydrophobicContact CB-CD1 4.02Å; Y285-L291 HydrophobicContact CD2-CB 3.86Å; Y285-L291 HydrophobicContact CD2-CD1 3.85Å; Y285-L291 HydrophobicContact CD2-CG 4.47Å; Y285-L291 HydrophobicContact CE2-CD1 4.1Å; Y285-L291 HydrophobicContact CG-CB 4.28Å; K287-L291 PolarHBondContact O-N 3.32Å; S288-L291 PolarHBondContact O-N 3.34Å; L291-A293 PolarHBondContact O-N 3.28Å; L291-H294 WeakPolarHBondContact O-CB 3.24Å; L291-H294 PolarHBondContact O-N 3.05Å; L291-R295 HydrophobicContact CD1-CG 4.23Å; L291-R295 WeakPolarHBondContact O-CG 3.43Å; L291-R295 PolarHBondContact O-N 3Å |
| 292 | K | 88.7 | Confident | 89.7 | Confident | 106 Ų | 106 | 77.9 Ų | 77.9 | 46% | 0.461 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 177.5 | -173 | 178.7 | -178.9 | -177.8 | 0 | 111.6 | M22 S288 S289 H290 H294 R295 | M22-K292 PolarHBondContact SD-NZ 3.27Å; M22-K292 VanDerWaalsContact SD-NZ 3.38Å; S288-K292 PolarHBondContact O-N 3.32Å; S289-K292 PolarHBondContact O-N 3.43Å; H290-K292 VanDerWaalsContact C-N 3.35Å; K292-H294 VanDerWaalsContact C-N 3.32Å; K292-H294 PolarHBondContact O-N 3.35Å; K292-R295 PolarHBondContact O-N 3.03Å |
| 293 | A | 87.1 | Confident | 89.5 | Confident | 21 Ų | 21 | 76.4 Ų | 76.4 | 17% | 0.174 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.4 | -39 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S289 H290 L291 R296 R317 | S289-A293 WeakPolarHBondContact O-CB 3.39Å; S289-A293 PolarHBondContact O-N 3.27Å; H290-A293 PolarHBondContact O-N 3.45Å; L291-A293 PolarHBondContact O-N 3.28Å; A293-R296 VanDerWaalsContact O-CB 3.31Å; A293-R296 WeakPolarHBondContact O-CB 3.28Å; A293-R296 PolarHBondContact O-N 2.91Å; A293-R317 HydrophobicContact CB-CG 4.5Å |
| 294 | H | 89.4 | Confident | 89.3 | Confident | 10 Ų | 10 | 73.4 Ų | 73.4 | 5% | 0.046 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 176.2 | 167.3 | 59 | 0 | 0 | 0 | 113 | C276 C281 Y285 H290 L291 K292 R296 I297 H298 | C276-H294 PolarHBondContact SG-NE2 3.47Å; C281-H294 PolarHBondContact SG-NE2 3.47Å; Y285-H294 HydrophobicContact CE1-CB 4.17Å; Y285-H294 HydrophobicContact CE2-CB 3.67Å; Y285-H294 AromaticContact CE2-CD2 3.33Å; Y285-H294 WeakPolarHBondContact CE2-CD2 3.24Å; Y285-H294 AromaticContact CE2-CG 3.54Å; Y285-H294 VanDerWaalsContact CZ-CB 3.43Å; Y285-H294 AromaticContact CZ-CD2 3.68Å; Y285-H294 AromaticContact CZ-CG 3.41Å; Y285-H294 VanDerWaalsContact CZ-CG 3.41Å; Y285-H294 VanDerWaalsContact OH-CB 3.25Å; Y285-H294 WeakPolarHBondContact OH-CB 3.38Å; Y285-H294 PolarHBondContact OH-CD2 2.82Å; Y285-H294 VanDerWaalsContact OH-CD2 3.3Å; Y285-H294 PolarHBondContact OH-ND1 3.23Å; H290-H294 VanDerWaalsContact O-CB 3.27Å; H290-H294 WeakPolarHBondContact O-CB 3.43Å; H290-H294 PolarHBondContact O-N 3.29Å; L291-H294 WeakPolarHBondContact O-CB 3.24Å; L291-H294 PolarHBondContact O-N 3.05Å; K292-H294 VanDerWaalsContact C-N 3.32Å; K292-H294 PolarHBondContact O-N 3.35Å; H294-R296 PolarHBondContact O-N 3Å; H294-R296 VanDerWaalsContact O-N 3.1Å; H294-I297 VanDerWaalsContact O-CB 3.24Å; H294-I297 WeakPolarHBondContact O-CB 3.09Å; H294-I297 WeakPolarHBondContact O-CG1 3.03Å; H294-I297 PolarHBondContact O-N 2.72Å; H294-H298 AromaticContact CE1-NE2 3.43Å; H294-H298 PolarHBondContact CE1-NE2 2.82Å; H294-H298 AromaticContact NE2-CD2 3.96Å; H294-H298 AromaticContact NE2-NE2 3.32Å; H294-H298 PolarHBondContact NE2-NE2 3.25Å |
| 295 | R | 89.3 | Confident | 89.2 | Confident | 110 Ų | 110 | 75 Ų | 75 | 42% | 0.415 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -57.6 | -26.5 | 178.1 | -73.6 | 175.7 | 80.9 | -120.7 | 2.6 | 112.6 | D277 L291 K292 I297 H298 T299 | D277-R295 IonicContact OD1-NE 3.26Å; D277-R295 PolarHBondContact OD1-NE 2.96Å; D277-R295 IonicContact OD2-NE 3.9Å; D277-R295 IonicContact OD2-NH2 3.71Å; L291-R295 HydrophobicContact CD1-CG 4.23Å; L291-R295 WeakPolarHBondContact O-CG 3.43Å; L291-R295 PolarHBondContact O-N 3Å; K292-R295 PolarHBondContact O-N 3.03Å; R295-I297 PolarHBondContact O-N 3.05Å; R295-H298 WeakPolarHBondContact O-CB 3.18Å; R295-H298 PolarHBondContact O-N 3.31Å; R295-T299 PolarHBondContact O-N 3.03Å; R295-T299 VanDerWaalsContact O-N 3.09Å; R295-T299 PolarHBondContact O-OG1 2.93Å |
| 296 | R | 89.6 | Confident | 89.2 | Confident | 40 Ų | 40 | 72.8 Ų | 72.8 | 15% | 0.151 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.4 | -23.5 | 173.5 | -61.2 | 179.3 | -179.9 | 148.4 | -2 | 113.6 | A293 H294 H298 T299 G300 E301 A316 | A293-R296 VanDerWaalsContact O-CB 3.31Å; A293-R296 WeakPolarHBondContact O-CB 3.28Å; A293-R296 PolarHBondContact O-N 2.91Å; H294-R296 PolarHBondContact O-N 3Å; H294-R296 VanDerWaalsContact O-N 3.1Å; R296-H298 VanDerWaalsContact C-N 3.3Å; R296-T299 WeakPolarHBondContact CA-OG1 3.22Å; R296-G300 CarbonylContact O-C 3.59Å; R296-G300 VanDerWaalsContact O-CA 3.31Å; R296-G300 WeakPolarHBondContact O-CA 3.47Å; R296-G300 PolarHBondContact O-N 3.47Å; R296-E301 HydrophobicContact CB-CB 4.39Å; R296-E301 HydrophobicContact CG-CB 4.26Å; R296-E301 PolarHBondContact O-N 2.8Å; R296-A316 HydrophobicContact CB-CB 4.2Å; R296-A316 WeakPolarHBondContact CD-O 3.49Å; R296-A316 PolarHBondContact NH1-O 3.36Å |
| 297 | I | 87.4 | Confident | 89.2 | Confident | 109 Ų | 109 | 74.6 Ų | 74.6 | 56% | 0.559 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -68 | -35.8 | 174.2 | -57.6 | 177 | 0 | 0 | 0 | 110.3 | H294 R295 | H294-I297 VanDerWaalsContact O-CB 3.24Å; H294-I297 WeakPolarHBondContact O-CB 3.09Å; H294-I297 WeakPolarHBondContact O-CG1 3.03Å; H294-I297 PolarHBondContact O-N 2.72Å; R295-I297 PolarHBondContact O-N 3.05Å |
| 298 | H | 88.4 | Confident | 89.3 | Confident | 55 Ų | 55 | 74 Ų | 74 | 26% | 0.255 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -79.7 | -38 | 178.7 | -63.5 | -57.1 | 0 | 0 | 0 | 112.6 | F278 C281 H294 R295 R296 | F278-H298 HydrophobicContact CB-CB 4.47Å; F278-H298 HydrophobicContact CD1-CB 4.28Å; F278-H298 AromaticContact CD1-CE1 3.46Å; F278-H298 VanDerWaalsContact CD1-CE1 3.46Å; F278-H298 WeakPolarHBondContact CD1-CE1 3.25Å; F278-H298 AromaticContact CD1-CG 3.65Å; F278-H298 AromaticContact CD1-ND1 3.17Å; F278-H298 WeakPolarHBondContact CD1-ND1 3.31Å; F278-H298 HydrophobicContact CD2-CB 3.55Å; F278-H298 AromaticContact CD2-CG 3.69Å; F278-H298 HydrophobicContact CE1-CB 4.41Å; F278-H298 AromaticContact CE1-ND1 3.48Å; F278-H298 WeakPolarHBondContact CE1-ND1 3.36Å; F278-H298 HydrophobicContact CE2-CB 3.71Å; F278-H298 HydrophobicContact CG-CB 3.84Å; F278-H298 AromaticContact CG-CD2 3.74Å; F278-H298 AromaticContact CG-CE1 3.83Å; F278-H298 AromaticContact CG-CG 3.4Å; F278-H298 VanDerWaalsContact CG-CG 3.4Å; F278-H298 AromaticContact CG-ND1 3.47Å; F278-H298 WeakPolarHBondContact CG-ND1 3.38Å; F278-H298 HydrophobicContact CZ-CB 4.13Å; C281-H298 PolarHBondContact SG-NE2 2.92Å; H294-H298 AromaticContact CE1-NE2 3.43Å; H294-H298 PolarHBondContact CE1-NE2 2.82Å; H294-H298 AromaticContact NE2-CD2 3.96Å; H294-H298 AromaticContact NE2-NE2 3.32Å; H294-H298 PolarHBondContact NE2-NE2 3.25Å; R295-H298 WeakPolarHBondContact O-CB 3.18Å; R295-H298 PolarHBondContact O-N 3.31Å; R296-H298 VanDerWaalsContact C-N 3.3Å |
| 299 | T | 86.9 | Confident | 89.4 | Confident | 80 Ų | 80 | 77.7 Ų | 77.7 | 49% | 0.491 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -84 | -15 | 179.5 | 61.3 | 0 | 0 | 0 | 0 | 113.3 | R295 R296 E301 | R295-T299 PolarHBondContact O-N 3.03Å; R295-T299 VanDerWaalsContact O-N 3.09Å; R295-T299 PolarHBondContact O-OG1 2.93Å; R296-T299 WeakPolarHBondContact CA-OG1 3.22Å; T299-E301 PolarHBondContact O-N 3.28Å; T299-E301 WeakPolarHBondContact OG1-CG 3.22Å; T299-E301 PolarHBondContact OG1-N 3.05Å |
| 300 | G | 87.2 | Confident | 89.5 | Confident | 50 Ų | 50 | 78.1 Ų | 78.1 | 52% | 0.515 | 41% | 0.413 | S | S | . | . | trans | 69.9 | 9.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | R296 K302 | R296-G300 CarbonylContact O-C 3.59Å; R296-G300 VanDerWaalsContact O-CA 3.31Å; R296-G300 WeakPolarHBondContact O-CA 3.47Å; R296-G300 PolarHBondContact O-N 3.47Å; G300-K302 PolarHBondContact O-N 2.9Å | ||
| 301 | E | 87.9 | Confident | 89.6 | Confident | 116 Ų | 116 | 74.7 Ų | 74.7 | 54% | 0.542 | 40% | 0.399 | S | S | . | . | trans | -64.7 | 124.5 | -178.9 | -77.1 | 178.1 | -175.7 | 0 | 0 | 111.6 | R296 T299 P303 | R296-E301 HydrophobicContact CB-CB 4.39Å; R296-E301 HydrophobicContact CG-CB 4.26Å; R296-E301 PolarHBondContact O-N 2.8Å; T299-E301 PolarHBondContact O-N 3.28Å; T299-E301 WeakPolarHBondContact OG1-CG 3.22Å; T299-E301 PolarHBondContact OG1-N 3.05Å; E301-P303 WeakPolarHBondContact O-CD 3.25Å | ||
| 302 | K | 89.9 | Confident | 89.6 | Confident | 124 Ų | 124 | 78.2 Ų | 78.2 | 54% | 0.539 | 43% | 0.425 | S | S | . | . | trans | -124 | 79.3 | 177.5 | -67 | 173.5 | 175 | -174.1 | 0 | 110.1 | G300 Y304 K314 F315 | G300-K302 PolarHBondContact O-N 2.9Å; K302-Y304 VanDerWaalsContact C-N 3.27Å; K302-Y304 PolarHBondContact O-N 3Å; K302-K314 HydrophobicContact CB-CB 3.6Å; K302-K314 HydrophobicContact CD-CB 4.15Å; K302-K314 WeakPolarHBondContact CD-O 3.08Å; K302-K314 HydrophobicContact CG-CB 4.49Å; K302-F315 CarbonylContact C-O 3.46Å; K302-F315 VanDerWaalsContact C-O 3.27Å; K302-F315 VanDerWaalsContact CA-O 3.24Å; K302-F315 WeakPolarHBondContact CA-O 3.36Å | ||
| 303 | P | 88.3 | Confident | 89.7 | Confident | 76 Ų | 76 | 80.9 Ų | 80.9 | 49% | 0.494 | 43% | 0.432 | S | S | . | . | trans | -71 | -21.6 | -174.1 | 26 | -32.1 | 0 | 0 | 0 | 113.3 | E301 | E301-P303 WeakPolarHBondContact O-CD 3.25Š| ||
| 304 | Y | 89.6 | Confident | 90 | Very high | 55 Ų | 55 | 85.3 Ų | 85.3 | 22% | 0.216 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 108.8 | -175.5 | -55.2 | -78.6 | 0 | 0 | 0 | 110.4 | L15 K302 K314 F315 A316 R317 | L15-Y304 HydrophobicContact CD2-CD1 4.34Å; L15-Y304 HydrophobicContact CD2-CE1 3.87Å; K302-Y304 VanDerWaalsContact C-N 3.27Å; K302-Y304 PolarHBondContact O-N 3Å; Y304-K314 CarbonylContact O-C 3.27Å; Y304-K314 VanDerWaalsContact O-CA 3.26Å; Y304-K314 WeakPolarHBondContact O-CA 3.35Å; Y304-F315 WeakPolarHBondContact CD2-O 3.33Å; Y304-F315 PolarHBondContact N-O 3.38Å; Y304-F315 VanDerWaalsContact N-O 3.13Å; Y304-F315 PolarHBondContact O-N 3.38Å; Y304-A316 WeakPolarHBondContact CE2-O 3.41Å; Y304-R317 VanDerWaalsContact CE2-C 3.47Å; Y304-R317 VanDerWaalsContact CE2-CA 3.47Å |
| 305 | K | 90.9 | Very high | 90 | Very high | 119 Ų | 119 | 86 Ų | 86 | 52% | 0.517 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 139.7 | 179.2 | -170.8 | -169.6 | 172.1 | -167.3 | 0 | 110.6 | K314 | K305-K314 HydrophobicContact CB-CG 4.26Å; K305-K314 HydrophobicContact CG-CG 4.05Å |
| 306 | C | 92.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 81.7 Ų | 81.7 | 1% | 0.007 | 44% | 0.438 | C | S | . | . | trans | -68.1 | 131.6 | 166.8 | -166.6 | 0 | 0 | 0 | 0 | 110.4 | C311 W313 L321 H324 H328 | C306-C311 HydrophobicContact CB-CB 4.23Å; C306-W313 WeakPolarHBondContact CB-O 3.34Å; C306-W313 PolarHBondContact N-O 2.93Å; C306-L321 HydrophobicContact CB-CD1 4.1Å; C306-H324 PolarHBondContact SG-NE2 3.39Å; C306-H324 VanDerWaalsContact SG-NE2 3.44Å; C306-H328 PolarHBondContact SG-NE2 3.13Å | ||
| 307 | T | 91.8 | Very high | 89.7 | Confident | 122 Ų | 122 | 85 Ų | 85 | 75% | 0.748 | 45% | 0.451 | S | S | * | . | trans | -98.8 | 2.4 | 178.9 | 52.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 308 | W | 91.3 | Very high | 89.7 | Confident | 109 Ų | 109 | 81.6 Ų | 81.6 | 41% | 0.413 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -68.3 | 138.4 | 176.8 | -165.9 | -86.5 | 0 | 0 | 0 | 110.9 | G310 C311 F325 H328 T329 | W308-G310 PolarHBondContact O-N 3.39Å; W308-C311 HydrophobicContact CB-CB 3.95Å; W308-C311 WeakPolarHBondContact O-CB 3.13Å; W308-C311 PolarHBondContact O-N 3.46Å; W308-F325 AromaticContact CE3-CE1 3.89Å; W308-F325 HydrophobicContact CE3-CE1 3.89Å; W308-F325 AromaticContact CE3-CZ 3.98Å; W308-F325 HydrophobicContact CE3-CZ 3.98Å; W308-F325 HydrophobicContact CZ3-CE1 4.24Å; W308-H328 AromaticContact CD1-CE1 3.64Å; W308-H328 AromaticContact CD1-CG 3.83Å; W308-H328 AromaticContact CD1-ND1 3.38Å; W308-H328 HydrophobicContact CD2-CB 3.41Å; W308-H328 VanDerWaalsContact CD2-CB 3.41Å; W308-H328 AromaticContact CD2-CG 3.53Å; W308-H328 AromaticContact CD2-ND1 3.88Å; W308-H328 AromaticContact CE2-CG 3.95Å; W308-H328 AromaticContact CE2-ND1 3.96Å; W308-H328 HydrophobicContact CE3-CB 3.46Å; W308-H328 VanDerWaalsContact CE3-CB 3.46Å; W308-H328 AromaticContact CE3-CG 3.98Å; W308-H328 HydrophobicContact CG-CB 3.94Å; W308-H328 AromaticContact CG-CD2 3.7Å; W308-H328 AromaticContact CG-CE1 3.77Å; W308-H328 AromaticContact CG-CG 3.47Å; W308-H328 VanDerWaalsContact CG-CG 3.47Å; W308-H328 AromaticContact CG-ND1 3.51Å; W308-H328 AromaticContact CG-NE2 3.91Å; W308-H328 HydrophobicContact CH2-CB 4Å; W308-H328 HydrophobicContact CZ2-CB 3.98Å; W308-H328 HydrophobicContact CZ3-CB 3.76Å; W308-H328 AromaticContact NE1-ND1 3.68Å; W308-T329 HydrophobicContact CZ3-CG2 4.01Å |
| 309 | D | 92.1 | Very high | 89.5 | Confident | 148 Ų | 148 | 82.6 Ų | 82.6 | 79% | 0.791 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 133.2 | -177.4 | -168.2 | 71.3 | 0 | 0 | 0 | 111.7 | C311 | D309-C311 PolarHBondContact O-N 3.23Š|
| 310 | G | 89.9 | Confident | 89.6 | Confident | 78 Ų | 78 | 81.3 Ų | 81.3 | 80% | 0.804 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | -3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | W308 | W308-G310 PolarHBondContact O-N 3.39Š|
| 311 | C | 91.8 | Very high | 89.8 | Confident | 17 Ų | 17 | 80 Ų | 80 | 12% | 0.115 | 41% | 0.413 | C | S | . | . | trans | -98.1 | 118.8 | 176.4 | -166.8 | 0 | 0 | 0 | 0 | 112 | C306 W308 D309 H324 H328 | C306-C311 HydrophobicContact CB-CB 4.23Å; W308-C311 HydrophobicContact CB-CB 3.95Å; W308-C311 WeakPolarHBondContact O-CB 3.13Å; W308-C311 PolarHBondContact O-N 3.46Å; D309-C311 PolarHBondContact O-N 3.23Å; C311-H324 PolarHBondContact SG-NE2 3.37Å; C311-H328 PolarHBondContact SG-NE2 2.85Å; C311-H328 VanDerWaalsContact SG-NE2 3.43Å | ||
| 312 | S | 91.1 | Very high | 89.9 | Confident | 96 Ų | 96 | 75.5 Ų | 75.5 | 67% | 0.671 | 39% | 0.394 | S | S | * | . | trans | -107.3 | 15.9 | 177.7 | -68 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 313 | W | 92.5 | Very high | 89.8 | Confident | 163 Ų | 163 | 74.5 Ų | 74.5 | 62% | 0.617 | 39% | 0.386 | S | S | * | . | trans | -70.7 | 139.3 | -177.6 | -77.9 | 56.7 | 0 | 0 | 0 | 111.7 | C306 F315 H324 | C306-W313 WeakPolarHBondContact CB-O 3.34Å; C306-W313 PolarHBondContact N-O 2.93Å; W313-F315 HydrophobicContact CB-CE2 3.92Å; W313-F315 HydrophobicContact CB-CZ 3.85Å; W313-F315 HydrophobicContact CE3-CE1 4.1Å; W313-F315 AromaticContact CE3-CZ 3.89Å; W313-F315 HydrophobicContact CE3-CZ 3.89Å; W313-H324 AromaticContact CG-CE1 3.91Å | ||
| 314 | K | 92.3 | Very high | 90 | Very high | 114 Ų | 114 | 71.6 Ų | 71.6 | 50% | 0.496 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 147.4 | 177.2 | -57.7 | 179.9 | -178 | 175.8 | 0 | 110.4 | K302 Y304 K305 | K302-K314 HydrophobicContact CB-CB 3.6Å; K302-K314 HydrophobicContact CD-CB 4.15Å; K302-K314 WeakPolarHBondContact CD-O 3.08Å; K302-K314 HydrophobicContact CG-CB 4.49Å; Y304-K314 CarbonylContact O-C 3.27Å; Y304-K314 VanDerWaalsContact O-CA 3.26Å; Y304-K314 WeakPolarHBondContact O-CA 3.35Å; K305-K314 HydrophobicContact CB-CG 4.26Å; K305-K314 HydrophobicContact CG-CG 4.05Å |
| 315 | F | 88.9 | Confident | 90 | Very high | 25 Ų | 25 | 71.2 Ų | 71.2 | 11% | 0.11 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 150.7 | -173.5 | -57.7 | -80.7 | 0 | 0 | 0 | 111.5 | K302 Y304 W313 E320 L321 H324 | K302-F315 CarbonylContact C-O 3.46Å; K302-F315 VanDerWaalsContact C-O 3.27Å; K302-F315 VanDerWaalsContact CA-O 3.24Å; K302-F315 WeakPolarHBondContact CA-O 3.36Å; Y304-F315 WeakPolarHBondContact CD2-O 3.33Å; Y304-F315 PolarHBondContact N-O 3.38Å; Y304-F315 VanDerWaalsContact N-O 3.13Å; Y304-F315 PolarHBondContact O-N 3.38Å; W313-F315 HydrophobicContact CB-CE2 3.92Å; W313-F315 HydrophobicContact CB-CZ 3.85Å; W313-F315 HydrophobicContact CE3-CE1 4.1Å; W313-F315 AromaticContact CE3-CZ 3.89Å; W313-F315 HydrophobicContact CE3-CZ 3.89Å; F315-E320 HydrophobicContact CB-CB 3.91Å; F315-E320 HydrophobicContact CD1-CB 3.79Å; F315-E320 HydrophobicContact CG-CB 4.05Å; F315-L321 HydrophobicContact CB-CB 4.4Å; F315-L321 HydrophobicContact CD2-CB 3.85Å; F315-L321 HydrophobicContact CD2-CD1 3.79Å; F315-L321 HydrophobicContact CD2-CG 4.43Å; F315-L321 HydrophobicContact CE2-CD1 3.95Å; F315-L321 HydrophobicContact CG-CB 4.32Å; F315-H324 HydrophobicContact CE1-CB 3.97Å; F315-H324 HydrophobicContact CE2-CB 3.71Å; F315-H324 AromaticContact CE2-CD2 3.51Å; F315-H324 AromaticContact CE2-CG 3.55Å; F315-H324 HydrophobicContact CZ-CB 3.33Å; F315-H324 AromaticContact CZ-CD2 3.64Å; F315-H324 AromaticContact CZ-CG 3.21Å; F315-H324 AromaticContact CZ-ND1 3.5Å; F315-H324 WeakPolarHBondContact CZ-ND1 3.5Å |
| 316 | A | 87.8 | Confident | 90 | Very high | 18 Ų | 18 | 67.8 Ų | 67.8 | 15% | 0.149 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -82.9 | -20.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R296 Y304 E320 | R296-A316 HydrophobicContact CB-CB 4.2Å; R296-A316 WeakPolarHBondContact CD-O 3.49Å; R296-A316 PolarHBondContact NH1-O 3.36Å; Y304-A316 WeakPolarHBondContact CE2-O 3.41Å; A316-E320 PolarHBondContact N-OE2 2.83Å |
| 317 | R | 85 | Confident | 89.9 | Confident | 111 Ų | 111 | 75.6 Ų | 75.6 | 42% | 0.419 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -131.1 | 155.9 | 179.7 | -55.4 | 167.4 | 48.3 | 150.6 | -5.7 | 112.2 | A293 Y304 D319 E320 L321 | A293-R317 HydrophobicContact CB-CG 4.5Å; Y304-R317 VanDerWaalsContact CE2-C 3.47Å; Y304-R317 VanDerWaalsContact CE2-CA 3.47Å; R317-D319 WeakPolarHBondContact CB-OD1 3.43Å; R317-D319 IonicContact CZ-OD1 3.49Å; R317-D319 IonicContact CZ-OD2 3.39Å; R317-D319 IonicContact NE-OD1 2.82Å; R317-D319 PolarHBondContact NE-OD1 3.33Å; R317-D319 IonicContact NE-OD2 3.43Å; R317-D319 PolarHBondContact NE-OD2 2.76Å; R317-D319 VanDerWaalsContact NH2-CG 3.33Å; R317-D319 IonicContact NH2-OD1 3.29Å; R317-D319 PolarHBondContact NH2-OD1 3.48Å; R317-D319 IonicContact NH2-OD2 2.74Å; R317-D319 PolarHBondContact NH2-OD2 2.92Å; R317-E320 HydrophobicContact CB-CB 4.47Å; R317-E320 HydrophobicContact CB-CG 4.04Å; R317-E320 PolarHBondContact N-OE2 3.16Å; R317-L321 PolarHBondContact O-N 3.48Å |
| 318 | S | 87.4 | Confident | 89.8 | Confident | 37 Ų | 37 | 72.4 Ų | 72.4 | 26% | 0.259 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.7 | -41.6 | 179.3 | 45.4 | 0 | 0 | 0 | 0 | 112.8 | E320 L321 T322 | S318-E320 PolarHBondContact O-N 2.78Å; S318-L321 WeakPolarHBondContact O-CA 3.49Å; S318-L321 WeakPolarHBondContact O-CB 3.34Å; S318-L321 PolarHBondContact O-N 3.41Å; S318-T322 PolarHBondContact O-N 3.47Å; S318-T322 PolarHBondContact O-OG1 2.87Å |
| 319 | D | 85.2 | Confident | 89.7 | Confident | 76 Ų | 76 | 69.4 Ų | 69.4 | 41% | 0.406 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.5 | -31.8 | 177.7 | 60.2 | -49.5 | 0 | 0 | 0 | 112.3 | R317 R323 | R317-D319 WeakPolarHBondContact CB-OD1 3.43Å; R317-D319 IonicContact CZ-OD1 3.49Å; R317-D319 IonicContact CZ-OD2 3.39Å; R317-D319 IonicContact NE-OD1 2.82Å; R317-D319 PolarHBondContact NE-OD1 3.33Å; R317-D319 IonicContact NE-OD2 3.43Å; R317-D319 PolarHBondContact NE-OD2 2.76Å; R317-D319 VanDerWaalsContact NH2-CG 3.33Å; R317-D319 IonicContact NH2-OD1 3.29Å; R317-D319 PolarHBondContact NH2-OD1 3.48Å; R317-D319 IonicContact NH2-OD2 2.74Å; R317-D319 PolarHBondContact NH2-OD2 2.92Å; D319-R323 VanDerWaalsContact O-CB 3.29Å; D319-R323 WeakPolarHBondContact O-CB 3.35Å; D319-R323 PolarHBondContact O-N 3.29Å |
| 320 | E | 89 | Confident | 89.6 | Confident | 53 Ų | 53 | 64.7 Ų | 64.7 | 25% | 0.248 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 172.4 | -66.4 | 172.7 | 169.1 | 0 | 0 | 112 | F315 A316 R317 S318 H324 | F315-E320 HydrophobicContact CB-CB 3.91Å; F315-E320 HydrophobicContact CD1-CB 3.79Å; F315-E320 HydrophobicContact CG-CB 4.05Å; A316-E320 PolarHBondContact N-OE2 2.83Å; R317-E320 HydrophobicContact CB-CB 4.47Å; R317-E320 HydrophobicContact CB-CG 4.04Å; R317-E320 PolarHBondContact N-OE2 3.16Å; S318-E320 PolarHBondContact O-N 2.78Å; E320-H324 WeakPolarHBondContact O-CB 3.42Å; E320-H324 PolarHBondContact O-N 3.49Å |
| 321 | L | 91.5 | Very high | 89.6 | Confident | 21 Ų | 21 | 62.8 Ų | 62.8 | 11% | 0.11 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.5 | -48.4 | 174.8 | 173.3 | 62.8 | 0 | 0 | 0 | 110.8 | C306 F315 R317 S318 R323 H324 F325 | C306-L321 HydrophobicContact CB-CD1 4.1Å; F315-L321 HydrophobicContact CB-CB 4.4Å; F315-L321 HydrophobicContact CD2-CB 3.85Å; F315-L321 HydrophobicContact CD2-CD1 3.79Å; F315-L321 HydrophobicContact CD2-CG 4.43Å; F315-L321 HydrophobicContact CE2-CD1 3.95Å; F315-L321 HydrophobicContact CG-CB 4.32Å; R317-L321 PolarHBondContact O-N 3.48Å; S318-L321 WeakPolarHBondContact O-CA 3.49Å; S318-L321 WeakPolarHBondContact O-CB 3.34Å; S318-L321 PolarHBondContact O-N 3.41Å; L321-R323 VanDerWaalsContact C-N 3.32Å; L321-R323 PolarHBondContact O-N 2.92Å; L321-H324 CarbonylContact O-C 3.46Å; L321-H324 WeakPolarHBondContact O-CA 3.48Å; L321-H324 WeakPolarHBondContact O-CB 3.29Å; L321-H324 PolarHBondContact O-N 3.45Å; L321-H324 VanDerWaalsContact O-N 3.08Å; L321-F325 HydrophobicContact CD1-CD2 4.4Å; L321-F325 PolarHBondContact O-N 3.2Å |
| 322 | T | 89 | Confident | 89.6 | Confident | 22 Ų | 22 | 67 Ų | 67 | 14% | 0.135 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.1 | -45.9 | 178.5 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | I8 S318 H324 F325 R326 | I8-T322 HydrophobicContact CG2-CG2 4.45Å; S318-T322 PolarHBondContact O-N 3.47Å; S318-T322 PolarHBondContact O-OG1 2.87Å; T322-H324 VanDerWaalsContact C-N 3.31Å; T322-H324 PolarHBondContact O-N 3.44Å; T322-F325 WeakPolarHBondContact O-CB 3.27Å; T322-F325 PolarHBondContact O-N 2.89Å; T322-R326 PolarHBondContact O-N 3.24Å |
| 323 | R | 88.3 | Confident | 89.4 | Confident | 103 Ų | 103 | 65.6 Ų | 65.6 | 39% | 0.389 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 175.9 | 179.4 | 178.4 | 62 | -174.7 | -3.1 | 112.1 | D319 L321 R345 | D319-R323 VanDerWaalsContact O-CB 3.29Å; D319-R323 WeakPolarHBondContact O-CB 3.35Å; D319-R323 PolarHBondContact O-N 3.29Å; L321-R323 VanDerWaalsContact C-N 3.32Å; L321-R323 PolarHBondContact O-N 2.92Å; R323-R345 HydrophobicContact CG-CG 4.24Å |
| 324 | H | 91.9 | Very high | 89.5 | Confident | 16 Ų | 16 | 60.7 Ų | 60.7 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.4 | -41 | 174.7 | 169.2 | 82.6 | 0 | 0 | 0 | 111.5 | C306 C311 W313 F315 E320 L321 T322 R326 K327 H328 | C306-H324 PolarHBondContact SG-NE2 3.39Å; C306-H324 VanDerWaalsContact SG-NE2 3.44Å; C311-H324 PolarHBondContact SG-NE2 3.37Å; W313-H324 AromaticContact CG-CE1 3.91Å; F315-H324 HydrophobicContact CE1-CB 3.97Å; F315-H324 HydrophobicContact CE2-CB 3.71Å; F315-H324 AromaticContact CE2-CD2 3.51Å; F315-H324 AromaticContact CE2-CG 3.55Å; F315-H324 HydrophobicContact CZ-CB 3.33Å; F315-H324 AromaticContact CZ-CD2 3.64Å; F315-H324 AromaticContact CZ-CG 3.21Å; F315-H324 AromaticContact CZ-ND1 3.5Å; F315-H324 WeakPolarHBondContact CZ-ND1 3.5Å; E320-H324 WeakPolarHBondContact O-CB 3.42Å; E320-H324 PolarHBondContact O-N 3.49Å; L321-H324 CarbonylContact O-C 3.46Å; L321-H324 WeakPolarHBondContact O-CA 3.48Å; L321-H324 WeakPolarHBondContact O-CB 3.29Å; L321-H324 PolarHBondContact O-N 3.45Å; L321-H324 VanDerWaalsContact O-N 3.08Å; T322-H324 VanDerWaalsContact C-N 3.31Å; T322-H324 PolarHBondContact O-N 3.44Å; H324-R326 PolarHBondContact O-N 3.21Å; H324-K327 WeakPolarHBondContact O-CB 3.24Å; H324-K327 WeakPolarHBondContact O-CG 3.41Å; H324-K327 PolarHBondContact O-N 2.81Å; H324-H328 AromaticContact CD2-NE2 3.92Å; H324-H328 AromaticContact CE1-NE2 3.75Å; H324-H328 AromaticContact NE2-CD2 3.87Å; H324-H328 AromaticContact NE2-NE2 3.18Å; H324-H328 PolarHBondContact NE2-NE2 2.92Å; H324-H328 VanDerWaalsContact NE2-NE2 3.18Å |
| 325 | F | 90.1 | Very high | 89.5 | Confident | 47 Ų | 47 | 63 Ų | 63 | 21% | 0.206 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.2 | -30.7 | 179.4 | -136.3 | -89.3 | 0 | 0 | 0 | 112.9 | W308 L321 T322 K327 H328 T329 | W308-F325 AromaticContact CE3-CE1 3.89Å; W308-F325 HydrophobicContact CE3-CE1 3.89Å; W308-F325 AromaticContact CE3-CZ 3.98Å; W308-F325 HydrophobicContact CE3-CZ 3.98Å; W308-F325 HydrophobicContact CZ3-CE1 4.24Å; L321-F325 HydrophobicContact CD1-CD2 4.4Å; L321-F325 PolarHBondContact O-N 3.2Å; T322-F325 WeakPolarHBondContact O-CB 3.27Å; T322-F325 PolarHBondContact O-N 2.89Å; F325-K327 PolarHBondContact O-N 3.43Å; F325-H328 PolarHBondContact O-N 3.08Å; F325-H328 VanDerWaalsContact O-N 3.08Å; F325-T329 HydrophobicContact CD1-CG2 4.09Å; F325-T329 HydrophobicContact CE1-CG2 4.35Å; F325-T329 PolarHBondContact O-N 2.74Å; F325-T329 VanDerWaalsContact O-N 3.17Å; F325-T329 PolarHBondContact O-OG1 3.18Å |
| 326 | R | 91.1 | Very high | 89.8 | Confident | 46 Ų | 46 | 61.9 Ų | 61.9 | 17% | 0.174 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.7 | -22.3 | 171.4 | -66.8 | 179.7 | -176 | 159.2 | 4.6 | 113.6 | T322 H324 T329 G330 S344 | T322-R326 PolarHBondContact O-N 3.24Å; H324-R326 PolarHBondContact O-N 3.21Å; R326-T329 WeakPolarHBondContact CA-OG1 3.14Å; R326-G330 WeakPolarHBondContact O-CA 3.31Å; R326-G330 PolarHBondContact O-N 3.23Å; R326-S344 WeakPolarHBondContact CD-O 3.3Å; R326-S344 PolarHBondContact NH1-O 3.2Å |
| 327 | K | 90.1 | Very high | 90.1 | Very high | 165 Ų | 165 | 66.1 Ų | 66.1 | 72% | 0.717 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -72.9 | -33.4 | 174.5 | -60.6 | -175.1 | 173 | -169.5 | 0 | 112.3 | H324 F325 | H324-K327 WeakPolarHBondContact O-CB 3.24Å; H324-K327 WeakPolarHBondContact O-CG 3.41Å; H324-K327 PolarHBondContact O-N 2.81Å; F325-K327 PolarHBondContact O-N 3.43Å |
| 328 | H | 90 | Very high | 90.4 | Very high | 55 Ų | 55 | 65.3 Ų | 65.3 | 26% | 0.255 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -75.6 | -42.5 | 177.3 | -68.1 | -58.4 | 0 | 0 | 0 | 111.8 | C306 W308 C311 H324 F325 | C306-H328 PolarHBondContact SG-NE2 3.13Å; W308-H328 AromaticContact CD1-CE1 3.64Å; W308-H328 AromaticContact CD1-CG 3.83Å; W308-H328 AromaticContact CD1-ND1 3.38Å; W308-H328 HydrophobicContact CD2-CB 3.41Å; W308-H328 VanDerWaalsContact CD2-CB 3.41Å; W308-H328 AromaticContact CD2-CG 3.53Å; W308-H328 AromaticContact CD2-ND1 3.88Å; W308-H328 AromaticContact CE2-CG 3.95Å; W308-H328 AromaticContact CE2-ND1 3.96Å; W308-H328 HydrophobicContact CE3-CB 3.46Å; W308-H328 VanDerWaalsContact CE3-CB 3.46Å; W308-H328 AromaticContact CE3-CG 3.98Å; W308-H328 HydrophobicContact CG-CB 3.94Å; W308-H328 AromaticContact CG-CD2 3.7Å; W308-H328 AromaticContact CG-CE1 3.77Å; W308-H328 AromaticContact CG-CG 3.47Å; W308-H328 VanDerWaalsContact CG-CG 3.47Å; W308-H328 AromaticContact CG-ND1 3.51Å; W308-H328 AromaticContact CG-NE2 3.91Å; W308-H328 HydrophobicContact CH2-CB 4Å; W308-H328 HydrophobicContact CZ2-CB 3.98Å; W308-H328 HydrophobicContact CZ3-CB 3.76Å; W308-H328 AromaticContact NE1-ND1 3.68Å; C311-H328 PolarHBondContact SG-NE2 2.85Å; C311-H328 VanDerWaalsContact SG-NE2 3.43Å; H324-H328 AromaticContact CD2-NE2 3.92Å; H324-H328 AromaticContact CE1-NE2 3.75Å; H324-H328 AromaticContact NE2-CD2 3.87Å; H324-H328 AromaticContact NE2-NE2 3.18Å; H324-H328 PolarHBondContact NE2-NE2 2.92Å; H324-H328 VanDerWaalsContact NE2-NE2 3.18Å; F325-H328 PolarHBondContact O-N 3.08Å; F325-H328 VanDerWaalsContact O-N 3.08Å |
| 329 | T | 89.5 | Confident | 90.7 | Very high | 46 Ų | 46 | 66.2 Ų | 66.2 | 28% | 0.282 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -84.7 | -16.8 | -176.4 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | W308 F325 R326 I331 | W308-T329 HydrophobicContact CZ3-CG2 4.01Å; F325-T329 HydrophobicContact CD1-CG2 4.09Å; F325-T329 HydrophobicContact CE1-CG2 4.35Å; F325-T329 PolarHBondContact O-N 2.74Å; F325-T329 VanDerWaalsContact O-N 3.17Å; F325-T329 PolarHBondContact O-OG1 3.18Å; R326-T329 WeakPolarHBondContact CA-OG1 3.14Å; T329-I331 HydrophobicContact CG2-CD1 4.31Å; T329-I331 PolarHBondContact O-N 3.06Å |
| 330 | G | 89.4 | Confident | 91 | Very high | 49 Ų | 49 | 67.8 Ų | 67.8 | 51% | 0.505 | 34% | 0.342 | S | S | . | . | trans | 69.1 | 8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R326 K332 | R326-G330 WeakPolarHBondContact O-CA 3.31Å; R326-G330 PolarHBondContact O-N 3.23Å; G330-K332 PolarHBondContact O-N 3.39Å | ||
| 331 | I | 88.6 | Confident | 91.3 | Very high | 39 Ų | 39 | 72.1 Ų | 72.1 | 20% | 0.2 | 36% | 0.356 | C | S | . | . | trans | -65.8 | 127.7 | -176.2 | -65.8 | 169 | 0 | 0 | 0 | 110.4 | M4 I8 T329 | M4-I331 HydrophobicContact CB-CD1 4.36Å; I8-I331 HydrophobicContact CD1-CD1 3.96Å; T329-I331 HydrophobicContact CG2-CD1 4.31Å; T329-I331 PolarHBondContact O-N 3.06Å | ||
| 332 | K | 92.4 | Very high | 91.4 | Very high | 104 Ų | 104 | 72.6 Ų | 72.6 | 45% | 0.452 | 36% | 0.362 | S | S | . | . | trans | -125.7 | 81.6 | -179.5 | -71.8 | 173.8 | 175.4 | -175.9 | 0 | 109.7 | G330 F334 F343 | G330-K332 PolarHBondContact O-N 3.39Å; K332-F334 VanDerWaalsContact C-N 3.25Å; K332-F334 PolarHBondContact O-N 3.29Å; K332-F343 CarbonylContact C-O 3.57Å; K332-F343 VanDerWaalsContact CA-O 3.26Å; K332-F343 WeakPolarHBondContact CA-O 3.3Å | ||
| 333 | P | 88.3 | Confident | 91.5 | Very high | 67 Ų | 67 | 73 Ų | 73 | 44% | 0.435 | 36% | 0.362 | S | S | . | . | trans | -75.2 | -15.4 | -169.8 | 29.1 | -29.9 | 0 | 0 | 0 | 113 | F343 | P333-F343 WeakPolarHBondContact CD-O 3.46Š| ||
| 334 | F | 92.8 | Very high | 91.6 | Very high | 61 Ų | 61 | 70.1 Ų | 70.1 | 27% | 0.268 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 100 | -174.9 | -56.4 | -75.7 | 0 | 0 | 0 | 110.5 | K332 S342 F343 R345 S346 L349 | K332-F334 VanDerWaalsContact C-N 3.25Å; K332-F334 PolarHBondContact O-N 3.29Å; F334-S342 CarbonylContact O-C 3.6Å; F334-S342 WeakPolarHBondContact O-CA 3.29Å; F334-F343 HydrophobicContact CB-CB 4.27Å; F334-F343 WeakPolarHBondContact CD2-O 3.39Å; F334-F343 PolarHBondContact N-O 3.21Å; F334-F343 PolarHBondContact O-N 3.26Å; F334-R345 VanDerWaalsContact CD2-CA 3.47Å; F334-S346 VanDerWaalsContact CD2-N 3.34Å; F334-S346 VanDerWaalsContact CE2-N 3.31Å; F334-L349 HydrophobicContact CB-CB 4.11Å; F334-L349 HydrophobicContact CB-CD2 3.92Å |
| 335 | R | 94.1 | Very high | 91.6 | Very high | 163 Ų | 163 | 71.9 Ų | 71.9 | 62% | 0.615 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 135 | 177.1 | -174.1 | 175.9 | -70.2 | -178.8 | -0.2 | 111.3 | S342 | R335-S342 PolarHBondContact NE-OG 3.11Å |
| 336 | C | 94.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.007 | 38% | 0.375 | C | S | . | . | trans | -76.5 | 130 | 169 | -175 | 0 | 0 | 0 | 0 | 109.9 | D338 N340 R341 F343 L349 H352 H356 | C336-D338 VanDerWaalsContact C-N 3.33Å; C336-N340 WeakPolarHBondContact O-CA 3.36Å; C336-N340 PolarHBondContact O-N 3.16Å; C336-R341 WeakPolarHBondContact CB-O 3.26Å; C336-R341 PolarHBondContact N-O 3.17Å; C336-F343 HydrophobicContact CB-CE2 4.24Å; C336-L349 HydrophobicContact CB-CD1 3.6Å; C336-H352 VanDerWaalsContact SG-CD2 3.6Å; C336-H356 PolarHBondContact SG-NE2 3.3Å | ||
| 337 | T | 93.1 | Very high | 91.8 | Very high | 107 Ų | 107 | 73.5 Ų | 73.5 | 66% | 0.656 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -30.5 | 179.2 | 46 | 0 | 0 | 0 | 0 | 112.6 | ||
| 338 | D | 92.2 | Very high | 92 | Very high | 94 Ų | 94 | 68.7 Ų | 68.7 | 50% | 0.503 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -29.3 | -168 | -43.6 | -35.1 | 0 | 0 | 0 | 111.8 | C336 H356 | C336-D338 VanDerWaalsContact C-N 3.33Å; D338-H356 IonicContact OD2-CD2 3.49Å; D338-H356 PolarHBondContact OD2-CD2 3.3Å; D338-H356 IonicContact OD2-CG 3.92Å |
| 339 | C | 93.9 | Very high | 92.2 | Very high | 56 Ų | 56 | 67.3 Ų | 67.3 | 38% | 0.378 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.2 | 8.8 | -179.4 | 74 | 0 | 0 | 0 | 0 | 114.4 | R341 H352 H356 | C339-R341 PolarHBondContact O-N 3.1Å; C339-R341 VanDerWaalsContact SG-CB 3.57Å; C339-H352 VanDerWaalsContact SG-CE1 3.58Å; C339-H352 PolarHBondContact SG-NE2 3.47Å; C339-H356 PolarHBondContact SG-NE2 2.93Å; C339-H356 VanDerWaalsContact SG-NE2 3.4Å |
| 340 | N | 92 | Very high | 92.4 | Very high | 109 Ų | 109 | 68.4 Ų | 68.4 | 58% | 0.583 | 37% | 0.366 | S | S | * | . | trans | 57.3 | 8.8 | -179.7 | -71.7 | -41.6 | 0 | 0 | 0 | 116.2 | C336 S342 | C336-N340 WeakPolarHBondContact O-CA 3.36Å; C336-N340 PolarHBondContact O-N 3.16Å; N340-S342 PolarHBondContact O-N 3.31Å | ||
| 341 | R | 93.4 | Very high | 92.6 | Very high | 143 Ų | 143 | 70.6 Ų | 70.6 | 54% | 0.54 | 37% | 0.366 | S | S | . | . | trans | -69.7 | 131.5 | 177.3 | -162.7 | 166.5 | -175.5 | 148.2 | 1.4 | 110.2 | C336 C339 F343 | C336-R341 WeakPolarHBondContact CB-O 3.26Å; C336-R341 PolarHBondContact N-O 3.17Å; C339-R341 PolarHBondContact O-N 3.1Å; C339-R341 VanDerWaalsContact SG-CB 3.57Å; R341-F343 HydrophobicContact CB-CE2 4.06Å; R341-F343 HydrophobicContact CB-CZ 4.1Å; R341-F343 HydrophobicContact CG-CE1 4.46Å; R341-F343 HydrophobicContact CG-CE2 4.16Å; R341-F343 HydrophobicContact CG-CZ 3.82Å; R341-F343 WeakPolarHBondContact O-CE2 3.44Å | ||
| 342 | S | 93.7 | Very high | 92.9 | Very high | 32 Ų | 32 | 69.7 Ų | 69.7 | 22% | 0.224 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 144.4 | -177.8 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | F334 R335 N340 | F334-S342 CarbonylContact O-C 3.6Å; F334-S342 WeakPolarHBondContact O-CA 3.29Å; R335-S342 PolarHBondContact NE-OG 3.11Å; N340-S342 PolarHBondContact O-N 3.31Å |
| 343 | F | 92.1 | Very high | 92.9 | Very high | 30 Ų | 30 | 70.4 Ų | 70.4 | 13% | 0.132 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 149.1 | -174.2 | -57.9 | -87.7 | 0 | 0 | 0 | 110.8 | K332 P333 F334 C336 R341 R345 H348 L349 H352 | K332-F343 CarbonylContact C-O 3.57Å; K332-F343 VanDerWaalsContact CA-O 3.26Å; K332-F343 WeakPolarHBondContact CA-O 3.3Å; P333-F343 WeakPolarHBondContact CD-O 3.46Å; F334-F343 HydrophobicContact CB-CB 4.27Å; F334-F343 WeakPolarHBondContact CD2-O 3.39Å; F334-F343 PolarHBondContact N-O 3.21Å; F334-F343 PolarHBondContact O-N 3.26Å; C336-F343 HydrophobicContact CB-CE2 4.24Å; R341-F343 HydrophobicContact CB-CE2 4.06Å; R341-F343 HydrophobicContact CB-CZ 4.1Å; R341-F343 HydrophobicContact CG-CE1 4.46Å; R341-F343 HydrophobicContact CG-CE2 4.16Å; R341-F343 HydrophobicContact CG-CZ 3.82Å; R341-F343 WeakPolarHBondContact O-CE2 3.44Å; F343-R345 VanDerWaalsContact C-N 3.31Å; F343-H348 HydrophobicContact CB-CB 4.2Å; F343-H348 HydrophobicContact CD1-CB 3.95Å; F343-H348 HydrophobicContact CG-CB 4.31Å; F343-L349 HydrophobicContact CB-CB 4.46Å; F343-L349 HydrophobicContact CD2-CB 3.92Å; F343-L349 HydrophobicContact CD2-CD1 3.84Å; F343-L349 HydrophobicContact CD2-CG 4.48Å; F343-L349 HydrophobicContact CE2-CD1 3.92Å; F343-L349 HydrophobicContact CG-CB 4.35Å; F343-H352 HydrophobicContact CE1-CB 4.04Å; F343-H352 HydrophobicContact CE2-CB 4.01Å; F343-H352 AromaticContact CE2-CD2 3.57Å; F343-H352 AromaticContact CE2-CG 3.74Å; F343-H352 HydrophobicContact CZ-CB 3.52Å; F343-H352 AromaticContact CZ-CD2 3.56Å; F343-H352 AromaticContact CZ-CG 3.26Å; F343-H352 AromaticContact CZ-ND1 3.61Å |
| 344 | S | 90.1 | Very high | 93.2 | Very high | 42 Ų | 42 | 74.8 Ų | 74.8 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -80.9 | -12.2 | 177.8 | 58.5 | 0 | 0 | 0 | 0 | 113.4 | R326 | R326-S344 WeakPolarHBondContact CD-O 3.3Å; R326-S344 PolarHBondContact NH1-O 3.2Å |
| 345 | R | 91.3 | Very high | 93.1 | Very high | 54 Ų | 54 | 79.5 Ų | 79.5 | 20% | 0.204 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -139.4 | 145.8 | -178.2 | -56.7 | 161.1 | 56.5 | 166.8 | -3 | 111.6 | R323 F334 F343 D347 H348 L349 | R323-R345 HydrophobicContact CG-CG 4.24Å; F334-R345 VanDerWaalsContact CD2-CA 3.47Å; F343-R345 VanDerWaalsContact C-N 3.31Å; R345-D347 WeakPolarHBondContact CB-OD1 3.4Å; R345-D347 IonicContact CZ-OD1 3.6Å; R345-D347 IonicContact CZ-OD2 3.34Å; R345-D347 IonicContact NE-OD1 2.92Å; R345-D347 PolarHBondContact NE-OD1 3.15Å; R345-D347 IonicContact NE-OD2 3.47Å; R345-D347 PolarHBondContact NE-OD2 3.08Å; R345-D347 IonicContact NH2-OD1 3.47Å; R345-D347 PolarHBondContact NH2-OD1 3.17Å; R345-D347 IonicContact NH2-OD2 2.65Å; R345-D347 PolarHBondContact NH2-OD2 3.49Å; R345-H348 HydrophobicContact CB-CB 4.44Å; R345-H348 VanDerWaalsContact CD-CD2 3.42Å; R345-H348 WeakPolarHBondContact CD-CD2 3.48Å; R345-H348 WeakPolarHBondContact CD-NE2 3.48Å; R345-H348 PolarHBondContact NE-CD2 3.21Å; R345-H348 VanDerWaalsContact NE-CD2 3.27Å; R345-H348 PolarHBondContact NE-NE2 2.96Å; R345-H348 PolarHBondContact NH1-NE2 3.16Å; R345-H348 PolarHBondContact O-N 3.44Å; R345-L349 PolarHBondContact O-N 3.47Å |
| 346 | S | 92.7 | Very high | 92.8 | Very high | 64 Ų | 64 | 74.6 Ų | 74.6 | 45% | 0.448 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.7 | -38.4 | 179.8 | 53 | 0 | 0 | 0 | 0 | 112.4 | F334 H348 L349 S350 | F334-S346 VanDerWaalsContact CD2-N 3.34Å; F334-S346 VanDerWaalsContact CE2-N 3.31Å; S346-H348 PolarHBondContact O-N 3.43Å; S346-L349 WeakPolarHBondContact O-CB 3.26Å; S346-L349 PolarHBondContact O-N 3.35Å; S346-L349 VanDerWaalsContact O-N 3.11Å; S346-S350 PolarHBondContact O-N 3.48Å; S346-S350 PolarHBondContact O-OG 3.42Å |
| 347 | D | 92.7 | Very high | 92.1 | Very high | 63 Ų | 63 | 80 Ų | 80 | 34% | 0.337 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.5 | -33.6 | 178 | 62.3 | -53 | 0 | 0 | 0 | 112 | R345 S350 L351 | R345-D347 WeakPolarHBondContact CB-OD1 3.4Å; R345-D347 IonicContact CZ-OD1 3.6Å; R345-D347 IonicContact CZ-OD2 3.34Å; R345-D347 IonicContact NE-OD1 2.92Å; R345-D347 PolarHBondContact NE-OD1 3.15Å; R345-D347 IonicContact NE-OD2 3.47Å; R345-D347 PolarHBondContact NE-OD2 3.08Å; R345-D347 IonicContact NH2-OD1 3.47Å; R345-D347 PolarHBondContact NH2-OD1 3.17Å; R345-D347 IonicContact NH2-OD2 2.65Å; R345-D347 PolarHBondContact NH2-OD2 3.49Å; D347-S350 PolarHBondContact O-N 3.08Å; D347-L351 WeakPolarHBondContact O-CB 3.2Å; D347-L351 WeakPolarHBondContact O-CG 3.49Å; D347-L351 PolarHBondContact O-N 3.46Å |
| 348 | H | 94.4 | Very high | 91.1 | Very high | 64 Ų | 64 | 80.3 Ų | 80.3 | 30% | 0.296 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68 | -41.4 | 174.6 | -71.7 | -116.4 | 0 | 0 | 0 | 111.5 | F343 R345 S346 H352 | F343-H348 HydrophobicContact CB-CB 4.2Å; F343-H348 HydrophobicContact CD1-CB 3.95Å; F343-H348 HydrophobicContact CG-CB 4.31Å; R345-H348 HydrophobicContact CB-CB 4.44Å; R345-H348 VanDerWaalsContact CD-CD2 3.42Å; R345-H348 WeakPolarHBondContact CD-CD2 3.48Å; R345-H348 WeakPolarHBondContact CD-NE2 3.48Å; R345-H348 PolarHBondContact NE-CD2 3.21Å; R345-H348 VanDerWaalsContact NE-CD2 3.27Å; R345-H348 PolarHBondContact NE-NE2 2.96Å; R345-H348 PolarHBondContact NH1-NE2 3.16Å; R345-H348 PolarHBondContact O-N 3.44Å; S346-H348 PolarHBondContact O-N 3.43Å; H348-H352 VanDerWaalsContact O-CB 3.24Å; H348-H352 WeakPolarHBondContact O-CB 3.5Å; H348-H352 PolarHBondContact O-N 3.34Å |
| 349 | L | 94.6 | Very high | 89.4 | Confident | 25 Ų | 25 | 87 Ų | 87 | 13% | 0.131 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 172.9 | 173 | 62.6 | 0 | 0 | 0 | 111 | F334 C336 F343 R345 S346 L351 H352 R353 | F334-L349 HydrophobicContact CB-CB 4.11Å; F334-L349 HydrophobicContact CB-CD2 3.92Å; C336-L349 HydrophobicContact CB-CD1 3.6Å; F343-L349 HydrophobicContact CB-CB 4.46Å; F343-L349 HydrophobicContact CD2-CB 3.92Å; F343-L349 HydrophobicContact CD2-CD1 3.84Å; F343-L349 HydrophobicContact CD2-CG 4.48Å; F343-L349 HydrophobicContact CE2-CD1 3.92Å; F343-L349 HydrophobicContact CG-CB 4.35Å; R345-L349 PolarHBondContact O-N 3.47Å; S346-L349 WeakPolarHBondContact O-CB 3.26Å; S346-L349 PolarHBondContact O-N 3.35Å; S346-L349 VanDerWaalsContact O-N 3.11Å; L349-L351 PolarHBondContact O-N 3.47Å; L349-H352 WeakPolarHBondContact O-CB 3.47Å; L349-H352 PolarHBondContact O-N 3.48Å; L349-H352 VanDerWaalsContact O-N 3.13Å; L349-R353 HydrophobicContact CD1-CG 3.97Å; L349-R353 HydrophobicContact CG-CG 4.36Å; L349-R353 WeakPolarHBondContact O-CG 3.33Å; L349-R353 PolarHBondContact O-N 3.31Å |
| 350 | S | 94.1 | Very high | 89.2 | Confident | 69 Ų | 69 | 88.6 Ų | 88.6 | 48% | 0.483 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 178.9 | -59.6 | 0 | 0 | 0 | 0 | 112 | S346 D347 H352 R353 R354 | S346-S350 PolarHBondContact O-N 3.48Å; S346-S350 PolarHBondContact O-OG 3.42Å; D347-S350 PolarHBondContact O-N 3.08Å; S350-H352 VanDerWaalsContact C-N 3.29Å; S350-H352 PolarHBondContact O-N 3.19Å; S350-R353 PolarHBondContact O-N 2.92Å; S350-R354 PolarHBondContact O-N 3.4Å |
| 351 | L | 94.1 | Very high | 89 | Confident | 95 Ų | 95 | 87.5 Ų | 87.5 | 50% | 0.497 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62 | -38.3 | 175.1 | -69.4 | 174.7 | 0 | 0 | 0 | 112.2 | D347 L349 | D347-L351 WeakPolarHBondContact O-CB 3.2Å; D347-L351 WeakPolarHBondContact O-CG 3.49Å; D347-L351 PolarHBondContact O-N 3.46Å; L349-L351 PolarHBondContact O-N 3.47Å |
| 352 | H | 94 | Very high | 88.8 | Confident | 21 Ų | 21 | 84.4 Ų | 84.4 | 10% | 0.097 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -67.3 | -42.6 | 177.7 | 168.4 | 78.3 | 0 | 0 | 0 | 112.3 | C336 C339 F343 H348 L349 S350 R354 R355 H356 | C336-H352 VanDerWaalsContact SG-CD2 3.6Å; C339-H352 VanDerWaalsContact SG-CE1 3.58Å; C339-H352 PolarHBondContact SG-NE2 3.47Å; F343-H352 HydrophobicContact CE1-CB 4.04Å; F343-H352 HydrophobicContact CE2-CB 4.01Å; F343-H352 AromaticContact CE2-CD2 3.57Å; F343-H352 AromaticContact CE2-CG 3.74Å; F343-H352 HydrophobicContact CZ-CB 3.52Å; F343-H352 AromaticContact CZ-CD2 3.56Å; F343-H352 AromaticContact CZ-CG 3.26Å; F343-H352 AromaticContact CZ-ND1 3.61Å; H348-H352 VanDerWaalsContact O-CB 3.24Å; H348-H352 WeakPolarHBondContact O-CB 3.5Å; H348-H352 PolarHBondContact O-N 3.34Å; L349-H352 WeakPolarHBondContact O-CB 3.47Å; L349-H352 PolarHBondContact O-N 3.48Å; L349-H352 VanDerWaalsContact O-N 3.13Å; S350-H352 VanDerWaalsContact C-N 3.29Å; S350-H352 PolarHBondContact O-N 3.19Å; H352-R354 PolarHBondContact O-N 3.46Å; H352-R355 VanDerWaalsContact O-CB 3.28Å; H352-R355 WeakPolarHBondContact O-CB 3.25Å; H352-R355 PolarHBondContact O-N 2.88Å; H352-H356 AromaticContact CD2-NE2 3.78Å; H352-H356 AromaticContact CE1-NE2 3.59Å; H352-H356 AromaticContact NE2-CD2 3.82Å; H352-H356 AromaticContact NE2-CE1 3.9Å; H352-H356 AromaticContact NE2-NE2 2.99Å; H352-H356 PolarHBondContact NE2-NE2 3.35Å |
| 353 | R | 92.9 | Very high | 88.5 | Confident | 119 Ų | 119 | 87.5 Ų | 87.5 | 45% | 0.449 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.1 | -34.7 | 179.5 | -76.7 | -179.6 | 67.8 | -151 | -3.7 | 112.7 | L349 S350 R355 H356 D357 | L349-R353 HydrophobicContact CD1-CG 3.97Å; L349-R353 HydrophobicContact CG-CG 4.36Å; L349-R353 WeakPolarHBondContact O-CG 3.33Å; L349-R353 PolarHBondContact O-N 3.31Å; S350-R353 PolarHBondContact O-N 2.92Å; R353-R355 PolarHBondContact O-N 2.87Å; R353-H356 WeakPolarHBondContact O-CA 3.09Å; R353-H356 WeakPolarHBondContact O-CB 3.38Å; R353-H356 PolarHBondContact O-N 3.31Å; R353-D357 PolarHBondContact O-N 3.42Å |
| 354 | R | 93.8 | Very high | 88.3 | Confident | 159 Ų | 159 | 91.1 Ų | 91.1 | 60% | 0.6 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -18.4 | 174 | -63.3 | -169 | -60.7 | 174.9 | 8.3 | 114.5 | S350 H352 T358 | S350-R354 PolarHBondContact O-N 3.4Å; H352-R354 PolarHBondContact O-N 3.46Å; R354-T358 WeakPolarHBondContact O-CG2 3.34Å |
| 355 | R | 91 | Very high | 88.1 | Confident | 160 Ų | 160 | 94.3 Ų | 94.3 | 60% | 0.604 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -24.4 | 173.7 | -174.1 | -178.7 | -73.2 | 98.9 | -4 | 112.4 | H352 R353 T358 | H352-R355 VanDerWaalsContact O-CB 3.28Å; H352-R355 WeakPolarHBondContact O-CB 3.25Å; H352-R355 PolarHBondContact O-N 2.88Å; R353-R355 PolarHBondContact O-N 2.87Å; R355-T358 PolarHBondContact O-OG1 3.49Å; R355-T358 VanDerWaalsContact O-OG1 3.11Å |
| 356 | H | 88.6 | Confident | 87.9 | Confident | 60 Ų | 60 | 97.2 Ų | 97.2 | 28% | 0.278 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -31 | 173.6 | -60.2 | -52.3 | 0 | 0 | 0 | 111.3 | C336 D338 C339 H352 R353 T358 | C336-H356 PolarHBondContact SG-NE2 3.3Å; D338-H356 IonicContact OD2-CD2 3.49Å; D338-H356 PolarHBondContact OD2-CD2 3.3Å; D338-H356 IonicContact OD2-CG 3.92Å; C339-H356 PolarHBondContact SG-NE2 2.93Å; C339-H356 VanDerWaalsContact SG-NE2 3.4Å; H352-H356 AromaticContact CD2-NE2 3.78Å; H352-H356 AromaticContact CE1-NE2 3.59Å; H352-H356 AromaticContact NE2-CD2 3.82Å; H352-H356 AromaticContact NE2-CE1 3.9Å; H352-H356 AromaticContact NE2-NE2 2.99Å; H352-H356 PolarHBondContact NE2-NE2 3.35Å; R353-H356 WeakPolarHBondContact O-CA 3.09Å; R353-H356 WeakPolarHBondContact O-CB 3.38Å; R353-H356 PolarHBondContact O-N 3.31Å; H356-T358 PolarHBondContact O-N 3.42Å |
| 357 | D | 80.2 | Confident | 87.5 | Confident | 114 Ų | 114 | 99.8 Ų | 99.8 | 61% | 0.61 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -15.4 | 178.1 | -57.6 | -24.2 | 0 | 0 | 0 | 113.5 | R353 M359 | R353-D357 PolarHBondContact O-N 3.42Å; D357-M359 PolarHBondContact O-N 3.1Å |
| 358 | T | 71.8 | Confident | 87.1 | Confident | 113 Ų | 113 | 102.8 Ų | 102.8 | 69% | 0.693 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 32.1 | -177.3 | 55.2 | 0 | 0 | 0 | 0 | 113.8 | R354 R355 H356 | R354-T358 WeakPolarHBondContact O-CG2 3.34Å; R355-T358 PolarHBondContact O-OG1 3.49Å; R355-T358 VanDerWaalsContact O-OG1 3.11Å; H356-T358 PolarHBondContact O-N 3.42Å |
| 359 | M | 56 | Low | 86.5 | Confident | 235 Ų | 235 | 106.4 Ų | 106.4 | 100% | 1.158 | 51% | 0.509 | S | S | * | . | trans | -119 | 0 | 177.1 | -68.5 | -130.1 | 179.8 | 0 | 0 | 112.4 | D357 | D357-M359 PolarHBondContact O-N 3.1Š|
Retrieved 359 of 359 residues in 448 ms
(Link to these results)